SCHEMBL7543825

SCHEMBL7543825

Cc1cn([C@H]2CC[C@@](F)(C(O)(F)F)O2)c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.46
DHFR P00374 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
POLB P06746 1/20 0.41
ADRA1A P35348 1/20 0.41
BLM P54132 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23622010 0.81 TK1 (0.49) TK1ALDH1A1LMNAALBPOLB
SCHEMBL10083240 0.80 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL3478 0.79 TK1 (0.49) TK1DHFR
SCHEMBL9548652 0.78 TK1 (0.51) TK1ALDH1A1LMNAALBPOLB
SCHEMBL24695053 0.77 TK1 (0.50) TK1ALDH1A1LMNAALBPOLB
SCHEMBL21345309 0.74 TK1 (0.55) TK1POLB
SCHEMBL20879499 0.74 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL20833453 0.74 TK1 (0.47) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9151712 0.74 TK1 (0.49) TK1ALDH1A1LMNAALBPOLB
SCHEMBL9151709 0.74 TK1 (0.49) TK1ALDH1A1LMNAALBPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126085-A1 CELL DIFFERENTIATION BASED UPON PARTICLE UPTAKE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1984-11-28 EP claimed
WO-1984000815-A1 CELL DIFFERENTIATION BASED UPON PARTICLE UPTAKE MASSACHUSETTS INST TECHNOLOGY (US) 1984-03-01 WO claimed
EP-0149040-B2 Modified live pseudorabies viruses, vaccines for pseudorabies disease containing same, methods for production of same and methods for use of same NOVAGENE INC (US) 2002-05-22 EP disclosed
US-5935829-A DETERMINING MUTAGENICITY OF COMPOUNDS BY EXPOSING HUMAN LYMPHOBLASTOID CELL LINE TO CHEMICAL REQUIRING ACTIVATION BY OXIDATIVE ENZYMES, CULTURING CELLS, DETECTING NUMBER OF MUTANT CELLS, COMPARING FREQUENCY OF MUTATION TO CONTROLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-08-10 US disclosed
US-5429948-A Human cell line stably expressing 5cDNAS encoding procarcinogen-activating enzymes and related mutagenicity assays GENTEST CORPORATION (US) 1995-07-04 US disclosed
EP-0149040-B1 MODIFIED LIVE PSEUDORABIES VIRUSES, VACCINES FOR PSEUDORABIES DISEASE CONTAINING SAME, METHODS FOR PRODUCTION OF SAME AND METHODS FOR USE OF SAME NOVAGENE, INC. (US) 1993-06-09 EP disclosed
EP-0113769-B1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-02-15 EP disclosed
US-4609548-A NON-PRODUCERS OF THYMIDINE KINASE; VETERINARY MEDICINE NOVAGENE, LTD. (US) 1986-09-02 US disclosed
US-4532204-A Exposing culture of AHH-1 cells to substance, comparing frequency of mutation to that of unexposed cells to determine mutagenicity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1985-07-30 US disclosed
EP-0149040-A2 Modified live pseudorabies viruses, vaccines for pseudorabies disease containing same, methods for production of same and methods for use of same NOVAGENE, INC. (US) 1985-07-24 EP disclosed
US-4514497-A DO NOT PRODUCE THYMIDINE KINASE- TEMPERATURE RESISTANCE NOVAGENE, LTD. (US) 1985-04-30 US disclosed
EP-0113769-A1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES. MASSACHUSETTS INST TECHNOLOGY (US) 1984-07-25 EP disclosed
WO-1984000379-A1 MUTATION ASSAYS INVOLVING BLOOD CELLS THAT METABOLIZE TOXIC SUBSTANCES MASSACHUSETTS INST TECHNOLOGY (US) 1984-02-02 WO disclosed