SCHEMBL9539394

SCHEMBL9539394

Nc1cccc(C(=O)N2CCNCC2)c1N

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.58
SIGMAR1 Q99720 1/20 0.51
PARP1 P09874 3/20 0.48
HSP90AA1 P07900 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HRH4 Q9H3N8 3/20 0.42

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
SCHEMBL5555223 0.87 RXFP1 (0.66) RXFP1SIGMAR1PARP1HSP90AA1HRH3
SCHEMBL13947807 0.86 RXFP1 (0.56) RXFP1SIGMAR1PARP1HSP90AA1HRH3
SCHEMBL8253848 0.81 RXFP1 (0.77) RXFP1SIGMAR1PARP1HSP90AA1HRH3
SCHEMBL31172456 0.81 SMN1; SMN2 (0.55)
SCHEMBL10522334 0.81 L3MBTL1 (0.56) HSP90AA1CA12CA1CA2CA7
SCHEMBL10578175 0.81 SMN1; SMN2 (0.55)
SCHEMBL10520056 0.77 HSD11B1 (0.46) HRH3CA12CA1CA2CA7
SCHEMBL8256145 0.76 RXFP1 (0.70) RXFP1SIGMAR1HSP90AA1HRH3HRH4
SCHEMBL7863594 0.75 RXFP1 (0.59) RXFP1SIGMAR1PARP1HSP90AA1HRH3
SCHEMBL12522808 0.75 RXFP1 (0.68) RXFP1SIGMAR1HSP90AA1HRH3HRH4

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-1993005088-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE FOAM FORMULATIONS ALLIED-SIGNAL INC. (US) 1993-03-18 WO claimed