SCHEMBL22787644

SCHEMBL22787644

CONc1ccc2c(N)n(Cc3ccccc3OC)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
CYP2C19 P33261 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
EGFR P00533 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL22775556 0.79 P2RX7 (0.47) ALDH1A1HPGDCYP2C19CYP1A2MEN1
SCHEMBL29431236 0.79 P2RX7 (0.47) ALDH1A1HPGDCYP2C19CYP1A2MEN1
SCHEMBL22775433 0.78 KMT2A (0.48) ALDH1A1HPGDCYP2C19KDM4ECYP3A4
SCHEMBL29431173 0.78 KMT2A (0.48) ALDH1A1HPGDCYP2C19KDM4ECYP3A4
SCHEMBL22787649 0.75 MEN1 (0.40) ALDH1A1HPGDCYP2C19KDM4ECYP3A4
SCHEMBL3583563 0.67 PTGER1 (0.47) ALDH1A1CYP2C19KDM4ECYP3A4CYP1A2
SCHEMBL4803702 0.66 NPBWR1 (0.50) ALDH1A1HPGDCYP2C19KDM4ECYP3A4
SCHEMBL29158354 0.66 TLR7 (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL1491059 0.64 NPBWR1 (0.48) ALDH1A1CYP2C19KDM4ECYP3A4CYP1A2
SCHEMBL24798906 0.61 FPR1 (0.48) ALDH1A1HPGDCYP2C19KDM4ECYP3A4

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-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 WO disclosed