SCHEMBL30744836

SCHEMBL30744836

O=C(O)c1cc2ccccc2c(N2CCC(O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PIK3CA P42336 2/20 0.44
CFTR P13569 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 2/20 0.42
HTR6 P50406 2/20 0.42
PTGER1 P34995 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
PRKDC P78527 2/20 0.40

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
SCHEMBL30744888 0.92 PRKDC (0.46) CSNK2A2CSNK2BCSNK2A1CFTRTSHR
SCHEMBL30744797 0.86 KDM4E (0.44) CSNK2A2CSNK2BCSNK2A1TSHRKMT2A
SCHEMBL30744833 0.82 KDM4E (0.55) CSNK2A2CSNK2BCSNK2A1PIK3CACFTR
SCHEMBL30744890 0.82 HTR3A (0.55) CSNK2A2CSNK2BCSNK2A1TSHRHTR6
SCHEMBL30744781 0.82 HTR2C (0.54) CSNK2A2CSNK2BCSNK2A1TSHRHTR6
SCHEMBL6001915 0.80 PRKD1 (0.48) PIK3CATSHRMAOBHTR6KMT2A
SCHEMBL30744858 0.80 KDM4E (0.42) CSNK2A2CSNK2BCSNK2A1TSHRKMT2A
SCHEMBL30744790 0.78 KDM4E (0.41) CSNK2A2CSNK2BCSNK2A1KMT2AKDM4E
SCHEMBL30744894 0.76 CHEK2 (0.42) CSNK2A2CSNK2BCSNK2A1MAOBHTR6
SCHEMBL30744932 0.76 ALOX15 (0.47) CSNK2A2CSNK2BCSNK2A1PIK3CAMAOB

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed