SCHEMBL30978748

SCHEMBL30978748

Oc1ccn(-c2ccnc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
LOX P28300 1/20 0.34
LOXL3 P58215 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
POLB P06746 1/20 0.32
SMARCA2 P51531 2/20 0.32
SMARCA4 P51532 2/20 0.32
TRPA1 O75762 1/20 0.32
PKM P14618 1/20 0.31
CYP17A1 P05093 3/20 0.31
NOTUM Q6P988 2/20 0.31
SIGMAR1 Q99720 1/20 0.30
PTK2 Q05397 1/20 0.30
ELOVL1 Q9BW60 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
SCHEMBL20242055 0.79 LOX (0.38) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL22040944 0.79 MAPT (0.43) RECQLLOXLOXL3LOXL2SMARCA2
SCHEMBL27764122 0.79 RECQL (0.34) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL21805818 0.76 CASR (0.34) RECQLLOXLOXL3LOXL2NOTUM
SCHEMBL729527 0.75 NOTUM (0.51) NOTUMSIGMAR1
SCHEMBL12789222 0.74 KDM1A (0.41) POLBNOTUM
SCHEMBL3264830 0.74 POLB (0.55) POLBPKMNOTUM
SCHEMBL30264085 0.74 POLB (0.55) POLBPKMNOTUM
SCHEMBL28103500 0.74 MTOR (0.39) ELOVL1
SCHEMBL2384190 0.72 ALDH1A1 (0.47) PKMNOTUMSIGMAR1

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-118324741-A Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-07-12 CN disclosed