SCHEMBL16799985

SCHEMBL16799985

CC(=O)Nc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
NAPRT Q6XQN6 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 2/20 0.49
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
PDK4 Q16654 2/20 0.49
HTT P42858 1/20 0.47

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
SCHEMBL812759 0.83 NAPRT (0.64) SMN1; SMN2NAPRTHSD17B10NPC1RAB9A
SCHEMBL18275167 0.81 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL2081375 0.80 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1MAPK1HTTRORC
SCHEMBL21047664 0.78 SMN1; SMN2 (0.72) SMN1; SMN2NAPRTHSD17B10RAB9AMAPT
SCHEMBL9784355 0.78 SMN1; SMN2 (0.71) SMN1; SMN2NAPRTHSD17B10NPC1RAB9A
SCHEMBL14546864 0.78 SMN1; SMN2 (0.71) SMN1; SMN2NAPRTHSD17B10RAB9AMAPT
SCHEMBL28028708 0.78 SMN1; SMN2 (0.71) SMN1; SMN2NAPRTHSD17B10NPC1RAB9A
SCHEMBL5544653 0.78 SMN1; SMN2 (0.71) SMN1; SMN2NAPRTHSD17B10NPC1RAB9A
SCHEMBL669442 0.77 EPHX2 (0.70) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL27965790 0.77 NAPRT (0.60) SMN1; SMN2NAPRTHSD17B10NPC1RAB9A

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 claimed
WO-2015082533-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2015-06-11 WO claimed