SCHEMBL9012473

SCHEMBL9012473

C=CCN(CC=C)CCSc1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ BCHE P06276 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.58
▸ EPHX2 P34913 1/20 0.57
▸ AR P10275 7/20 0.56
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.50

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
SCHEMBL9511125 0.82 BCHE (0.69) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL11475158 0.79 BCHE (1.00) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL10766969 0.79 ALDH1A1 (0.74) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL9512670 0.79 ALDH1A1 (0.83) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL1939001 0.78 KMT2A (1.00) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL7812102 0.76 BCHE (0.80) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL14304932 0.76 BCHE (0.86) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL6530086 0.75 BCHE (0.83) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL6141660 0.75 BCHE (0.83) KMT2AMEN1BCHEALDH1A1EPHX2
SCHEMBL14303260 0.75 BCHE (0.83) KMT2AMEN1BCHEALDH1A1EPHX2

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
EP-0457331-B1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA (JP) 1996-11-20 — — EP disclosed
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