SCHEMBL31362990

SCHEMBL31362990

Cn1ncc(Oc2cccc(Br)c2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
KDM4E B2RXH2 7/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
RECQL P46063 1/20 0.39
EGFR P00533 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MCL1 Q07820 1/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL31362968 0.87 CYP1A2 (0.49) ICAM1SELEKDM4EPOLBCYP1A2
SCHEMBL31163190 0.84 LMNA (0.47) ICAM1SELEKDM4EPOLBCYP1A2
SCHEMBL31719630 0.82 ALDH1A1 (0.43) KDM4EPOLBALDH1A1KMT2ATSHR
SCHEMBL31719628 0.81 PPARG (0.47) ICAM1SELEPOLBMAPTGAA
SCHEMBL31363023 0.75 HTT (0.42) CYP1A2CYP2C19GAAKMT2ALMNA
SCHEMBL31405514 0.74 CYP1A2 (0.46) ICAM1SELEKDM4EPOLBCYP1A2
SCHEMBL31163172 0.74 CYP1A2 (0.46) ICAM1SELEKDM4EPOLBCYP1A2
SCHEMBL25464817 0.71 KDM4E (0.39) KDM4EPOLBCYP1A2MAPTGAA
SCHEMBL26195027 0.70 ICAM1 (0.41) ICAM1SELEKDM4EPOLBCYP1A2
SCHEMBL18339396 0.70 ALDH1A1 (0.44) KDM4EMAPTALDH1A1KMT2ATDP1

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed