SCHEMBL18745409

SCHEMBL18745409

CC(C)c1ccc(Oc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP36 Q9P275 1/20 0.57
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 2/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.56
GRM5 P41594 3/20 0.55
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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
SCHEMBL18745408 0.89 HPSE (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15472303 0.89 NR1H4 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3678321 0.89 NPC1 (0.71) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL15472305 0.88 CYP1A2 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18745399 0.88 RXFP1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13192836 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18745404 0.87 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15472312 0.85 THRB (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19860068 0.85 NR1H4 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18745403 0.84 KMT2A (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-9624239-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-04-18 US disclosed