SCHEMBL8945795

SCHEMBL8945795

Cc1ccsc1C(=O)C(=CN(C)C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
SLC10A6 Q3KNW5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8945792 1.00 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AKMT2AHPGD
SCHEMBL8945860 0.82 PARP14 (0.46) ALDH1A1MAPTRAB9AKMT2AHPGD
SCHEMBL11790054 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL11790050 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL9583160 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9583162 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL11788181 0.75 CTSD (0.47) ALDH1A1MAPTRAB9AKMT2AHPGD
SCHEMBL11788092 0.75 CTSD (0.47) ALDH1A1MAPTRAB9AKMT2AHPGD
SCHEMBL5666106 0.69 ALDH1A1 (0.60) ALDH1A1MAPTRAB9AKMT2AHPGD
SCHEMBL31549285 0.69 ALDH1A1 (0.44) ALDH1A1MAPTRAB9AKMT2AHPGD

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed