SCHEMBL30091692

SCHEMBL30091692

CCOC(=O)c1nnc(Cc2cccc(Cl)c2F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
PTGES O14684 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL23927449 1.00 ALOX5 (0.40) ALOX5MEN1KMT2AMAPTPTGES
SCHEMBL15964605 0.88 NPC1 (0.43) ALOX5MEN1KMT2APTGESALDH1A1
SCHEMBL23927459 0.83 KDM4E (0.42) MRGPRX4ALDH1A1CYP1A2TP53P2RX7
SCHEMBL30091516 0.83 P2RX7 (0.37) MEN1KMT2AMAPTALDH1A1RXFP1
SCHEMBL23927439 0.83 P2RX7 (0.37) MEN1KMT2AMAPTALDH1A1RXFP1
SCHEMBL23927507 0.82 HPGD (0.40) MEN1KMT2AALDH1A1CYP1A2TP53
SCHEMBL17324405 0.82 KMT2A (0.50) ALOX5MEN1KMT2AMAPTPTGES
SCHEMBL23189116 0.79 TSHR (0.44) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL23927454 0.79 ALOX15 (0.45) MAPTALDH1A1CYP1A2PDE3BPDE3A
SCHEMBL30091646 0.79 ALOX15 (0.45) MAPTALDH1A1CYP1A2PDE3BPDE3A

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-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed