SCHEMBL20465939

SCHEMBL20465939

CCSc1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20465940 0.91 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10GLASMN1; SMN2
SCHEMBL20468293 0.89 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10GLASMN1; SMN2
SCHEMBL24286107 0.85 ALOX5AP (0.31) ALDH1A1HPGDHSD17B10GLASMN1; SMN2
SCHEMBL20465985 0.84 — —
SCHEMBL21805954 0.83 HSD17B10 (0.34) ALDH1A1HPGDHSD17B10GLASMN1; SMN2
SCHEMBL20468292 0.82 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10GLASMN1; SMN2
SCHEMBL29521456 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29521282 0.81 L3MBTL1 (0.34) ALDH1A1KMT2A
SCHEMBL20468387 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20465844 0.81 L3MBTL1 (0.34) ALDH1A1KMT2A

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
WO-2018141954-A1 ARYL OR HETEROARYL-SUBSTITUTED IMIDAZO PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — WO disclosed
Send feedback