SCHEMBL15970641

SCHEMBL15970641

C/C(=C\c1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.72
MEN1 O00255 7/20 0.72
HPGD P15428 7/20 0.62
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
AKR1C3 P42330 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
CHRM1 P11229 1/20 0.51
GAA P10253 2/20 0.49
F2 P00734 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL15970643 1.00 KMT2A (0.72) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL27349411 0.83 KMT2A (0.68) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL8954085 0.81 KMT2A (0.69) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL8954080 0.81 KMT2A (0.69) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL14375120 0.80 HPGD (0.53) KMT2AMEN1HPGDSMN1; SMN2MAPT
SCHEMBL3885423 0.79 HPGD (0.54) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL8976300 0.78 MEN1 (0.61) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL8976297 0.78 MEN1 (0.61) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL613703 0.78 HPGD (0.51) KMT2AMEN1HPGDPKMMAPK1
SCHEMBL4649558 0.78 HPGD (0.56) KMT2AMEN1HPGDPKMMAPK1

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-2014129874-A1 PIPER AMIDE-BASED COMPOUND AS BOMBESIN RECEPTOR SUBTYPE 3 서울대학교산학협력단 (KR) 2014-08-28 WO disclosed