SCHEMBL10827110

SCHEMBL10827110

N#CSCc1nc2ccc(C(F)(F)F)cc2c(=O)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CCKBR P32239 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ G6PD P11413 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ MAT2A P31153 1/20 0.40

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
SCHEMBL10827393 0.93 LMNA (0.49) KLK7LMNASMN1; SMN2CCKBRKDM4E
SCHEMBL10827107 0.83 DDR1 (0.38) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL10827391 0.80 ALDH1A1 (0.43) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL10828432 0.79 ALDH1A1 (0.43) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL10827322 0.78 RORA (0.45) SMN1; SMN2KDM4EALDH1A1MAPTCTSK
SCHEMBL10827380 0.78 PDE10A (0.48) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL10827387 0.74 ALDH1A1 (0.44) SMN1; SMN2KDM4EHPGDMEN1KMT2A
SCHEMBL10827674 0.74 PDE10A (0.41) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL24089901 0.71 G6PD (0.44) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL10827062 0.71 CTSD (0.45) LMNASMN1; SMN2KDM4EHPGDMEN1

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-4605657-A 4-quinazalone fungicides CHEVRON RESEARCH COMPANY (US) 1986-08-12 — — US disclosed
Send feedback