SCHEMBL30995156

SCHEMBL30995156

O=C(O)c1cc2ccc(OC(F)F)cc2n1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
PIK3CA P42336 1/20 0.40
PRKDC P78527 1/20 0.40
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
RORC P51449 1/20 0.36
DAO P14920 1/20 0.35
MDM2 Q00987 1/20 0.35
IDH1 O75874 2/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL30995252 0.95 PLA2G10 (0.42) PLA2G10PLA2G2APIK3CAPRKDCABL1
SCHEMBL30995164 0.84 PIK3CA (0.41) PLA2G10PLA2G2APIK3CAPRKDCALDH1A1
SCHEMBL30995119 0.81 PIK3CA (0.38) PLA2G10PLA2G2APIK3CAPRKDCABL1
SCHEMBL30995135 0.80 ALDH1A1 (0.46) PLA2G10ALDH1A1TSHRDAOMCL1
SCHEMBL30995228 0.79 NOD2 (0.41) PLA2G10PLA2G2APIK3CAPRKDCALDH1A1
SCHEMBL30995232 0.78 ALDH1A1 (0.55) PLA2G10ALDH1A1TSHRDAOMCL1
SCHEMBL30995185 0.78 MCL1 (0.46) ALDH1A1TSHRDAOMCL1L3MBTL1
SCHEMBL30995189 0.77 CCR2 (0.47) PLA2G10PLA2G2AALDH1A1TSHRDAO
SCHEMBL30995229 0.75 ABL1 (0.37) PLA2G10PLA2G2APIK3CAPRKDCABL1
SCHEMBL30995241 0.74 CYP11B2 (0.48) PLA2G10PLA2G2AALDH1A1TSHRL3MBTL1

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-118530160-A Aromatic heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-08-23 CN disclosed