SCHEMBL20217192

SCHEMBL20217192

Cc1ccc(N2CC(C3COC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
HTR7 P34969 1/20 0.42
ADRB1 P08588 1/20 0.41
RORC P51449 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
BPTF Q12830 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL17665171 0.94 AKR1C3 (0.45) AKR1C3HTR7ADRB1RORCNPC1
SCHEMBL14862125 0.81 AKR1C3 (0.44) AKR1C3HTR7RORCBPTFMAPT
SCHEMBL24824178 0.79 ADRB1 (0.47) AKR1C3HTR7ADRB1RAB9AMEN1
SCHEMBL20510814 0.77 AKR1C3 (0.44) AKR1C3HTR7ADRB1NPC1RAB9A
SCHEMBL20217190 0.75 ADRB1 (0.47) AKR1C3ADRB1RORCNPC1RAB9A
SCHEMBL31453263 0.75 GAA (0.45) AKR1C3HTR7ADRB1NPC1RAB9A
SCHEMBL20510583 0.74 BPTF (0.66) ADRB1MEN1KMT2ABPTF
SCHEMBL28956356 0.74 BPTF (0.66) ADRB1MEN1KMT2ABPTF
SCHEMBL22466116 0.74 MAPT (0.44) RORCNPC1RAB9ATP53MAPK1
SCHEMBL24824179 0.74 RORC (0.38) RORCBPTFMAPTPOLBKDM4E

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed