SCHEMBL2787487

SCHEMBL2787487

Cc1ccc2onc(SNC(=O)Nc3ccccc3C(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL24691558 0.76 LPAR1 (0.55) LPAR1MAPTRECQLCA12CA1
SCHEMBL2787490 0.74 POLB (0.42) LPAR1MAPTTP53POLBSMN1; SMN2
SCHEMBL2786774 0.72 MAPT (0.43) MAPTTP53POLBTDP1SMN1; SMN2
SCHEMBL2786903 0.71 EPHX2 (0.39) LPAR1RECQLSMN1; SMN2NLRP3
SCHEMBL2787494 0.67 TP53 (0.40) LPAR1MAPTTP53POLBSMN1; SMN2
SCHEMBL5852210 0.66 CA12 (0.68) LPAR1MAPTRECQLCA12CA1
SCHEMBL24479786 0.65 MAPT (0.74) MAPTTP53POLBTDP1SMN1; SMN2
SCHEMBL2784409 0.65 EPHX2 (0.46) MAPTTDP1
SCHEMBL2788286 0.65 HIF1A (0.61) MAPTTP53CA12CA1CA2
SCHEMBL11004024 0.64 LPAR1 (0.60) LPAR1MAPTRECQLCA12CA1

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-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed