SCHEMBL30995189

SCHEMBL30995189

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
PLA2G10 O15496 2/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
CYP11B2 P19099 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 3/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 1/20 0.37
HTR7 P34969 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
DAO P14920 1/20 0.37
EGFR P00533 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30995135 0.82 ALDH1A1 (0.46) CCR2PLA2G10CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL30995214 0.82 USP2 (0.43) ALDH1A1SMN1; SMN2USP2MEN1KMT2A
SCHEMBL30995232 0.80 ALDH1A1 (0.55) CCR2PLA2G10ALDH1A1TSHRMEN1
SCHEMBL31339892 0.80 OGFRL1 (0.42) ALDH1A1MEN1KMT2ALIPCLIPG
SCHEMBL30995185 0.80 MCL1 (0.46) CCR2ALDH1A1TSHRKMT2AHTR7
SCHEMBL30995124 0.78 ALDH1A1 (0.42) CYP11B2ALDH1A1SMN1; SMN2USP2PKM
SCHEMBL30995156 0.77 PLA2G10 (0.43) CCR2PLA2G10PLA2G2AALDH1A1SMN1; SMN2
SCHEMBL30995241 0.76 CYP11B2 (0.48) CCR2PLA2G10PLA2G2ACYP11B2ALDH1A1
SCHEMBL9816566 0.76 ALDH1A1 (0.54) CCR2ALDH1A1TSHRDAOKDM4E
SCHEMBL2140750 0.75 MCL1 (0.57) CCR2PLA2G10PLA2G2APLA2G5ALDH1A1

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