SCHEMBL21669286

SCHEMBL21669286

COC(Cn1c(=O)[nH]c2ccccc21)OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 1/20 0.61
IDO1 P14902 1/20 0.53
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DAO P14920 1/20 0.49
RAB9A P51151 2/20 0.47
HTR7 P34969 6/20 0.46
HTR1A P08908 1/20 0.44
P2RX7 Q99572 1/20 0.44

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
SCHEMBL2267066 0.82 CYP1A2 (0.67) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL891154 0.79 MEN1 (0.63) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL10835227 0.79 CYP1A2 (0.63) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL740232 0.79 RAB9A (0.68) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL10834234 0.79 MEN1 (0.63) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL24405399 0.77 MEN1 (0.52) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL12597554 0.77 CYP1A2 (0.64) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL21669284 0.76 B3GNT2 (0.47) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL29358626 0.76 CYP1A2 (1.00) MEN1CYP1A2KMT2AIDO1LMNA
SCHEMBL612643 0.76 CYP1A2 (1.00) MEN1CYP1A2KMT2AIDO1LMNA

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-2020026162-A1 PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN RICHTER GEDEON NYRT. (HU) 2020-02-06 WO disclosed