SCHEMBL24468528

SCHEMBL24468528

COc1ccc(CNc2nc3ccc(C(=O)NC(C)c4ncccn4)cc3c3c2CCC3)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.45
CYP3A4 P08684 10/20 0.45
CYP2C19 P33261 10/20 0.45
HSD17B10 Q99714 7/20 0.45
TSHR P16473 7/20 0.45
CYP2C9 P11712 7/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP2D6 P10635 8/20 0.43
LMNA P02545 6/20 0.43
USP2 O75604 5/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL24468497 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL29650821 0.84 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
Hydrochloric Acid SCHEMBL29685674 0.83 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL29686007 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL24468588 0.75 KDM4C (0.46) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL29875781 0.75 KDM4C (0.46) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL24468498 0.75 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL29651065 0.75 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
Hydrochloric Acid SCHEMBL29685763 0.75 KDM4C (0.46) CYP1A2CYP3A4CYP2C19HSD17B10TSHR
SCHEMBL29650989 0.74 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19HSD17B10TSHR

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-2022115377-A1 TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS AMGEN INC. (US) 2022-06-02 WO disclosed