SCHEMBL11806977

SCHEMBL11806977

Cc1nc2cc(C(F)(F)F)c(Cl)c(N)c2n1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ COMT P21964 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ AR P10275 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL11814904 0.82 ABL1 (0.33) NOTUMKMT2AABL1
SCHEMBL11812544 0.82 — —
SCHEMBL11809102 0.82 CSNK1E (0.36) DYRK1AABL1
SCHEMBL11517572 0.82 KDM4E (0.40) CDK9DYRK1AKDM4EALDH1A1LMNA
SCHEMBL11812486 0.81 KMT2A (0.33) CDK9DYRK1AMEN1PKMKMT2A
SCHEMBL11805651 0.80 CDK9 (0.40) CDK9DYRK1AKDM4EALDH1A1HPGD
SCHEMBL11811404 0.80 HSD11B1 (0.35) HSD11B1CDK9DYRK1A
SCHEMBL11810979 0.80 CDK9 (0.40) CDK9DYRK1AKDM4EALDH1A1PKM
SCHEMBL11804036 0.79 TLR8 (0.38) CDK9DYRK1AHPGDMEN1PKM
SCHEMBL11804027 0.79 DHFR (0.32) —

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-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
Send feedback