SCHEMBL8714080

SCHEMBL8714080

COc1ccccc1NC(=O)c1ccc(COC2CCCCO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
CREBBP Q92793 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MLYCD O95822 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.48
POLB P06746 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
SCHEMBL8716747 0.89 CREBBP (0.52) MAPTSMN1; SMN2TP53GAACREBBP
SCHEMBL8714422 0.80 ALDH1A1 (0.50) MAPTSMN1; SMN2TP53GAAKMT2A
SCHEMBL32681294 0.79 HDAC1 (0.49) MAPTSMN1; SMN2GAACREBBPKMT2A
SCHEMBL3809200 0.79 KMT2A (0.48) MAPTSMN1; SMN2GAACREBBPKMT2A
SCHEMBL9232831 0.78 KMT2A (0.51) SMN1; SMN2GAACREBBPKMT2AMEN1
SCHEMBL8716505 0.77 KMT2A (0.65) MAPTSMN1; SMN2TP53GAAKMT2A
SCHEMBL7796030 0.76 ITGB1 (0.43) SMN1; SMN2CREBBPKMT2AMEN1ALDH1A1
SCHEMBL8711253 0.75 ALDH1A1 (0.62) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL3811958 0.75 KMT2A (0.64) CREBBPKMT2AMEN1ALDH1A1NPC1
SCHEMBL393604 0.74 MEN1 (0.44) SMN1; SMN2GAACREBBPKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed