SCHEMBL6177597

SCHEMBL6177597

Nc1ccc(-c2c[nH]c(S)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
HPGD P15428 4/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 5/20 0.39
TP53 P04637 3/20 0.39
CYP3A4 P08684 2/20 0.39
GLA P06280 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
PKM P14618 1/20 0.38
THPO P40225 1/20 0.38

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 SCHEMBL6165643 0.98 KMT2A (0.41) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6609394 0.80 PDGFRB (0.41) METAP2KMT2AMEN1MAPTRAB9A
SCHEMBL6608440 0.80 MAPK1 (0.41) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5004823 0.79 ALDH1A1 (0.50) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL8009682 0.79 METAP2 (0.44) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL2215451 0.79 MEN1 (0.44) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL4874412 0.78 LMNA (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6026708 0.78 METAP2 (0.42) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL8010306 0.76 KEAP1 (0.41) METAP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL10722922 0.76 METAP2 (0.41) METAP2KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed