SCHEMBL16799846

SCHEMBL16799846

Cc1cc(N)ccc1C(O)(C(F)(F)F)C(F)(F)F.Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KIF11 P52732 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GLA P06280 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 3/20 0.35
▸ CASP1 P29466 2/20 0.35

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
SCHEMBL7099525 0.92 SMN1; SMN2 (0.53) SMN1; SMN2KIF11PDE10AALDH1A1MEN1
SCHEMBL13858152 0.90 KIF11 (0.47) SMN1; SMN2KIF11ALDH1A1MEN1KMT2A
SCHEMBL18999755 0.76 KIF11 (0.44) SMN1; SMN2KIF11PDE10AALDH1A1MEN1
SCHEMBL5351652 0.73 ALDH1A1 (0.48) SMN1; SMN2KIF11PDE10AALDH1A1MEN1
SCHEMBL2994229 0.73 ALDH1A1 (0.48) SMN1; SMN2KIF11PDE10AALDH1A1MEN1
SCHEMBL24719100 0.73 MEN1 (0.58) SMN1; SMN2MEN1KMT2AMAPK1HSD17B10
SCHEMBL29938143 0.73 ALDH1A1 (0.48) SMN1; SMN2KIF11PDE10AALDH1A1MEN1
SCHEMBL12724450 0.73 SMN1; SMN2 (0.52) SMN1; SMN2KIF11ALDH1A1MEN1KMT2A
SCHEMBL1333739 0.73 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9198448 0.73 ALDH1A1 (0.48) SMN1; SMN2KIF11PDE10AALDH1A1MEN1

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
EP-3077372-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Cel Models IP B.V. (NL) 2016-10-12 — — EP disclosed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 — — WO disclosed
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