SCHEMBL14146983

SCHEMBL14146983

O=C(Nc1ccncc1)NC1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 12/20 0.72
▸ MDM2 Q00987 1/20 0.55
▸ RAB9A P51151 7/20 0.50
▸ EPHX2 P34913 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ NPC1 O15118 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL5641433 0.84 EPHX1 (1.00) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL6621016 0.84 EPHX1 (0.71) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL22659944 0.82 POLB (0.75) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL1425082 0.81 EPHX1 (0.72) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL11927282 0.81 EPHX1 (0.63) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL20041102 0.81 EPHX1 (0.72) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL16825746 0.81 EPHX1 (0.72) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL17316255 0.81 EPHX1 (0.59) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL14997509 0.81 EPHX1 (0.72) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL12995588 0.81 EPHX1 (0.63) EPHX1RAB9AEPHX2SMN1; SMN2NPC1

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-2008079945-A2 ROCK INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-03 — — WO disclosed
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