SCHEMBL20406415

SCHEMBL20406415

CCc1ncccc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38

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
SCHEMBL20406230 0.92 MEN1 (0.37) MEN1KMT2AMAPTPDE10A
SCHEMBL20406654 0.88 RORC (0.44) MEN1KMT2AMAPTPDE10A
SCHEMBL20394208 0.83 PDE10A (0.49) AHRPDE10A
SCHEMBL18661458 0.78 PDE10A (0.52) AHRMEN1KMT2APDE10A
SCHEMBL18661463 0.76 KDR (0.42) PDE10A
SCHEMBL20394312 0.76 GPBAR1 (0.43) PDE10A
SCHEMBL18661536 0.76 AHR (0.45) AHRPDE10A
SCHEMBL20406598 0.75 PDE10A (0.43) AHRMEN1KMT2APDE10A
SCHEMBL25340568 0.75 PDE10A (0.43) ALDH1A1MAPTATMPDE10A
SCHEMBL20394336 0.75 FLT3 (0.41) AHRPDE10A

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
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP disclosed
Send feedback