SCHEMBL11807010

SCHEMBL11807010

Nn1c(S)nnc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 8/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6358868 0.98 NPSR1 (0.42) NPSR1RAB9AALDH1A1POLBMAPT
SCHEMBL11806820 0.90 NPSR1 (0.35) NPSR1RAB9AALDH1A1POLBMAPT
SCHEMBL2957126 0.78 NPSR1 (0.45) NPSR1RAB9AALDH1A1POLBMAPT
SCHEMBL1544893 0.76 ALDH1A1 (0.46) ALDH1A1POLBMAPTHPGD
SCHEMBL11721146 0.74 ATM (0.37) ATM
SCHEMBL19281550 0.72 HSD11B1 (0.33) ALDH1A1HPGD
SCHEMBL19520381 0.71 SMN1; SMN2 (0.50) NPSR1ALDH1A1POLBHPGD
SCHEMBL20816364 0.69 NPSR1 (0.39) NPSR1RAB9AALDH1A1POLBMAPT
SCHEMBL390783 0.69 ALDH1A1 (0.41) ALDH1A1MAPTHPGDHSD17B10L3MBTL1
SCHEMBL5334498 0.68 ALDH1A1 (0.45) NPSR1RAB9AALDH1A1HSD17B10L3MBTL1

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
US-3954984-A ANTISECRETRETORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3954981-A Triazolocycloalkylhydrothiadiazine derivatives RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed