SCHEMBL26546110

SCHEMBL26546110

COc1c(I)cc(F)cc1-c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
RECQL P46063 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.33
CASP6 P55212 1/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.32
TYK2 P29597 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL29686192 0.82 HTT (0.38) CHEK1RECQLHTTMAPK1CASP6
SCHEMBL26116987 0.82 HTT (0.38) CHEK1RECQLHTTMAPK1CASP6
SCHEMBL23732242 0.75 RECQL (0.45) CHEK1RECQLHTTMAPK1CASP6
SCHEMBL26545645 0.75 TPMT (0.33) TYK2CYP2C19
SCHEMBL26116301 0.75 TYK2 (0.41) CHEK1TYK2P2RX7KDM4ECYP3A4
SCHEMBL28838966 0.75 KLK3 (0.39) CHEK1HTTMAPK1TYK2GPBAR1
SCHEMBL29686286 0.71 TYK2 (0.39) CHEK1TYK2GPBAR1KDM4E
SCHEMBL24497690 0.71 TYK2 (0.39) CHEK1TYK2GPBAR1KDM4E
SCHEMBL2403919 0.70 KDM1A (0.50) RECQLMAPK1NPC1RAB9AGPBAR1
SCHEMBL30018078 0.68 KDM1A (0.48) RECQLHTTMAPK1NPC1RAB9A

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
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed