SCHEMBL10697120

SCHEMBL10697120

CCCN1CC=C(c2csc(N)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL10699302 0.99 KDM4E (0.44) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL10698637 0.92 HTR6 (0.40)
SCHEMBL10697680 0.81 DRD2 (0.48) ALDH1A1MAPTKMT2A
SCHEMBL10698234 0.80 MAPT (0.44) KDM4EALDH1A1MAPT
SCHEMBL10698628 0.78 ABL1 (0.45) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL9451955 0.78 CHRM2 (0.46) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL10698534 0.76 HTR6 (0.39) ALDH1A1RECQL
Water SCHEMBL10698996 0.72 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL9451944 0.70
SCHEMBL10697938 0.70 TYR (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP claimed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed