SCHEMBL6981420

SCHEMBL6981420

O=C(Nc1ccccc1)c1snc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
ADORA3 P0DMS8 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
CCNA2 P20248 1/20 0.48

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
SCHEMBL3984394 0.79 SMN1; SMN2 (0.42) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL9655858 0.74 ALDH1A1 (0.51) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6984279 0.74 AKR1B1 (0.36) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL18702830 0.74 HSD17B10 (0.41) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4603472 0.74 LIMK1 (0.44) RAB9ANPC1MAPTPOLBKMT2A
Hydrochloric Acid SCHEMBL4603416 0.73 LIMK1 (0.43) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6773122 0.71 TP53 (0.72) LMNASMN1; SMN2MAPTPOLB
SCHEMBL8347082 0.70 ALDH1A1 (0.35) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL7043652 0.68 LMNA (1.00) LMNARAB9ANPC1MAPTPOLB
SCHEMBL9660830 0.68 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTMEN1

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
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed