SCHEMBL7017142

SCHEMBL7017142

Clc1nc(NCc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PDE5A O76074 1/20 0.49
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7174355 0.96 HTT (0.53) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7404512 0.87 MAPT (0.53) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7016164 0.86 HTT (0.52) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8205598 0.86 PDE5A (0.66) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5779424 0.85 MAPT (0.60) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5782433 0.84 PRKCI (0.66) PRKCI
SCHEMBL7171537 0.84 MAPT (0.50) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7407521 0.84 MAPT (0.54) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7012571 0.84 MEN1 (0.52) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5781474 0.84 MAPT (0.49) HTTMAPTSMN1; SMN2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed