SCHEMBL8946180

SCHEMBL8946180

Cc1ccsc1C(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
HPD P32754 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
GSK3B P49841 1/20 0.41
STAT3 P40763 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL8945747 0.82 GSK3B (0.47) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8945794 0.79 KMT2A (0.53) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2977227 0.78 HPD (0.52) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6487344 0.76 CYP1A2 (0.63) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL997299 0.76 CYP1A2 (0.63) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8945864 0.75 PARP14 (0.46) PARP14LMNAMAPTMEN1KMT2A
SCHEMBL8945860 0.75 PARP14 (0.46) PARP14LMNAMAPTMEN1KMT2A
SCHEMBL28321274 0.75 CYP1A2 (0.47) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30695843 0.75 CYP3A4 (0.48) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10652415 0.75 CYP3A4 (0.48) LMNAMAPTMEN1KMT2ASMN1; SMN2

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