SCHEMBL7654224

SCHEMBL7654224

O=C(N[CH]c1cccs1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GCK P35557 2/20 0.49
PLA2G7 Q13093 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 3/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGDS O60760 1/20 0.44
SCD O00767 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL18719858 0.76 POLB (0.73) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL28478041 0.76 POLB (0.73) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL1230760 0.74 NPC1 (0.66) RAB9ANPC1KMT2ALMNAPOLB
SCHEMBL3559655 0.73 MEN1 (0.60) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL10842534 0.71 NPC1 (0.62) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL8078718 0.70 ABCG2 (0.76) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL8663226 0.70 ABCG2 (0.76) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL2651868 0.70 GCK (0.61) KMT2ALMNAPOLBGCKPLA2G7
SCHEMBL2651866 0.70 GCK (0.61) KMT2ALMNAPOLBGCKPLA2G7
SCHEMBL7691923 0.70 KMT2A (0.65) KMT2AMEN1LMNAPOLBGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US disclosed