SCHEMBL9531057

SCHEMBL9531057

CSc1cc(-c2cc(F)ccc2F)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.40
AXL P30530 1/20 0.38
KEAP1 Q14145 1/20 0.38
TGFBR1 P36897 4/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 1/20 0.37
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
ALOX15 P16050 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2867210 0.78 AXL (0.53) ALPLAXLKEAP1NPC1MAPT
SCHEMBL6286060 0.71 METAP2 (0.40) NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL31371362 0.68 TRPM8 (0.53) ALPLNPC1MAPTSMN1; SMN2NPSR1
SCHEMBL9530403 0.68 MPO (0.39) AXLKEAP1SMN1; SMN2MAPK1KDM4E
SCHEMBL3846622 0.67 ALPL (0.35) ALPLTGFBR1CYP3A4CYP2C8NPC1
SCHEMBL2374927 0.67 L3MBTL1 (0.58) ALOX15RAB9ACYP1A2POLBGAA
SCHEMBL9529749 0.67 GRM5 (0.33) TGFBR1CYP3A4CYP2C8MAPT
SCHEMBL31371407 0.66 ALPL (0.51) ALPLNPC1MAPTSMN1; SMN2MEN1
SCHEMBL22415326 0.66 HPGD (0.50) CYP3A4NPC1MAPTSMN1; SMN2NPSR1
SCHEMBL9766850 0.65 CA9 (0.52) CYP1A2

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-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed