SCHEMBL20165434

SCHEMBL20165434

CCSc1cc(-c2ccc(C(F)(F)F)cc2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ GRIN1 Q05586 6/20 0.34
▸ GRIN2B Q13224 6/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNB3 Q05901 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
SCHEMBL14677239 0.90 POLB (0.52) POLBALDH1A1KDM4EDDR1MEN1
SCHEMBL29431598 0.90 POLB (0.52) POLBALDH1A1KDM4EDDR1MEN1
SCHEMBL25887368 0.90 POLB (0.42) POLBGRIN1GRIN2BCHRNB1CHRNB2
SCHEMBL30989696 0.90 POLB (0.42) POLBGRIN1GRIN2BCHRNB1CHRNB2
SCHEMBL17688765 0.87 KDM4E (0.34) POLBGRIN1GRIN2BTP53GAA
SCHEMBL15868302 0.86 POLB (0.48) POLBALDH1A1MEN1NPC1STAT3
SCHEMBL23971584 0.85 POLB (0.50) POLBALDH1A1KDM4EMEN1NPC1
SCHEMBL17986660 0.85 POLB (0.48) POLBALDH1A1MEN1NPC1STAT3
SCHEMBL23729027 0.85 POLB (0.48) POLBALDH1A1KDM4EMEN1NPC1
SCHEMBL14684609 0.85 POLB (0.48) POLBALDH1A1MEN1NPC1STAT3

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
WO-2018091389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-24 — — WO disclosed
WO-2018091389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-24 — — WO disclosed
Send feedback