SCHEMBL14944012

SCHEMBL14944012

OCc1cnc(CI)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CPB2 Q96IY4 1/20 0.32
POLB P06746 1/20 0.32
PDXK O00764 1/20 0.32
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL336025 0.81 RECQL (0.37) RECQLNPC1RAB9ACPB2POLB
SCHEMBL335564 0.76 RECQL (0.39) RECQLNPC1RAB9ACPB2POLB
SCHEMBL113168 0.75 RECQL (0.42) RECQLNPC1RAB9APOLBPDXK
SCHEMBL4171181 0.75 TSHR (0.42) RECQLNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL17013487 0.73 DPP4 (0.37) RECQLNPC1RAB9ACPB2POLB
SCHEMBL335605 0.72 RECQL (0.39) RECQLNPC1RAB9APOLBPDXK
SCHEMBL9649790 0.72 CPB2 (0.50) RECQLNPC1RAB9ACPB2POLB
SCHEMBL27692700 0.71 CPB2 (0.32) RECQLCPB2
SCHEMBL14944013 0.69 ALDH1A1 (0.41)
SCHEMBL16116517 0.69 ESR1 (0.33) RECQLNPC1RAB9ACPB2POLB

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-2091936-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA LP (US) 2013-05-15 EP disclosed