SCHEMBL24316987

SCHEMBL24316987

COc1cc(O)cnc1OCc1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
CSF1R P07333 4/20 0.38
XDH P47989 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
CACNA1H O95180 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL24316988 0.85 CHRM4 (0.41) DHODHCSF1RNPC1RAB9ALMNA
SCHEMBL21327653 0.79 CSF1R (0.54) CSF1RNPC1RAB9ALMNA
SCHEMBL24316420 0.79 MAOB (0.45) CSF1RNPC1RAB9ALMNASCN9A
SCHEMBL24316985 0.78 MRGPRX4 (0.49) CSF1RNPC1RAB9ALMNASCN9A
SCHEMBL24316419 0.77 PDGFRB (0.49) NPC1RAB9ALMNA
SCHEMBL24316418 0.73 CSF1R (0.41) CSF1R
SCHEMBL19461724 0.70 CSF1R (0.46) CSF1RNPC1RAB9ALMNA
SCHEMBL24316415 0.69 CNR1 (0.47) CSF1RNPC1RAB9A
SCHEMBL24316986 0.69 KDM4E (0.50) LMNA
SCHEMBL17106561 0.69 NPC1 (0.49) NPC1RAB9ALMNA

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-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed