SCHEMBL31363049

SCHEMBL31363049

Cn1nc(Cl)c(O)c1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATR Q13535 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31363031 0.74 L3MBTL1 (0.42) KDM4EMAPTPOLB
SCHEMBL29339817 0.70 KDM4E (0.35) CRHBPCRHR2GABRG2GABRB3GABRA5
SCHEMBL31362961 0.68 ALDH1A1 (0.35) CRHBPCRHR2GABRA1GABRG2GABRB3
SCHEMBL29342357 0.67 NPSR1 (0.36) GABRA1GABRG2GABRB3GABRA5KDM4E
SCHEMBL16817685 0.66 KDM4E (0.38) KDM4EMAPTPOLB
SCHEMBL25816075 0.64 FAAH (0.36) GABRA1GABRG2GABRB3GABRA5MAPT
SCHEMBL31336627 0.64 KMT2A (0.48) KDM4EMAPTPOLBHSD17B10
SCHEMBL24402476 0.64 GABRA1 (0.37) CRHBPCRHR2GABRA1GABRG2GABRB3
SCHEMBL24276056 0.64 ATR (0.43) KDM4EATRMAPT
SCHEMBL21807935 0.63 CYP1A2 (0.46) POLB

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