SCHEMBL7937040

SCHEMBL7937040

O=C(c1ccccc1)c1ccc(NC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
POLB P06746 2/20 0.51
ELANE P08246 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCAR3 P49019 1/20 0.46

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
SCHEMBL4940251 0.93 LMNA (0.51) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7584196 0.88 HCAR3 (0.49) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL11465510 0.84 HCAR3 (0.58) LMNAKMT2APOLBTRPV1RAB9A
SCHEMBL11478987 0.84 HCAR3 (0.58) LMNAKMT2APOLBTRPV1RAB9A
SCHEMBL11461585 0.84 HCAR3 (0.58) LMNAKMT2APOLBTRPV1RAB9A
SCHEMBL3476595 0.84 HCAR3 (0.58) LMNAKMT2APOLBTRPV1RAB9A
SCHEMBL11460577 0.84 HCAR3 (0.58) LMNAKMT2APOLBTRPV1RAB9A
SCHEMBL1663449 0.82 HCAR3 (0.60) LMNAPOLBTRPV1EPHX2HCAR3
SCHEMBL24198978 0.80 KDM4E (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24514268 0.80 KDM4E (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed