SCHEMBL6561094

SCHEMBL6561094

N#Cc1ccc(CNC(N)=S)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP19A1 P11511 1/20 0.49
EPHX2 P34913 1/20 0.48
IDO1 P14902 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 1/20 0.45
CYP2A6 P11509 1/20 0.44
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5809090 0.83 LOXL2 (0.57) LOXL2CYP19A1EPHX2MEN1KMT2A
SCHEMBL18974156 0.82 IDO1 (0.62) LOXL2IDO1KMT2ACA12CA1
SCHEMBL6563716 0.81 CYP2C9 (0.59) LOXL2CYP19A1EPHX2IDO1CA12
SCHEMBL20496872 0.79 LOXL2 (0.61) LOXL2CYP19A1EPHX2IDO1MEN1
SCHEMBL27953296 0.76 ALOX12 (0.47) LOXL2EPHX2IDO1MEN1KMT2A
SCHEMBL1695664 0.76 LOXL2 (0.57) LOXL2CYP19A1EPHX2CA12CA1
SCHEMBL6444359 0.76 LOXL2 (0.57) LOXL2CYP19A1EPHX2CA12CA1
SCHEMBL19049390 0.75 LOXL2 (0.56) LOXL2CYP19A1EPHX2MEN1KMT2A
SCHEMBL1959781 0.75 PLA2G1B (0.70) MEN1KMT2APOLBGAAALOX12
SCHEMBL6564185 0.75 IDO1 (0.67) IDO1MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed