SCHEMBL10783255

SCHEMBL10783255

CC(=O)CCc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL7360806 0.84 KMT2A (0.49) HSD17B10KMT2ARAB9AMAPTALDH1A1
SCHEMBL10787003 0.83 ALDH1A1 (0.51) KMT2AMAPTALDH1A1CYP1A2TDP1
SCHEMBL2589891 0.81 HSD17B10 (0.56) HSD17B10KMT2ARAB9AALDH1A1CYP1A2
SCHEMBL30001924 0.81 HSD17B10 (0.56) HSD17B10KMT2ARAB9AALDH1A1CYP1A2
SCHEMBL7786691 0.79 HSD17B10 (0.62) HSD17B10KMT2ARAB9AMAPTALDH1A1
SCHEMBL11303939 0.78 HSD17B10 (0.53) HSD17B10KMT2ARAB9AMAPTALDH1A1
SCHEMBL4014324 0.78 HSD17B10 (0.53) HSD17B10KMT2ARAB9AMAPTALDH1A1
SCHEMBL27897843 0.78 KMT2A (0.59) HSD17B10KMT2ARAB9AMAPTALDH1A1
SCHEMBL23883005 0.78 HSD17B10 (0.56) HSD17B10KMT2AMAPTALDH1A1CYP1A2
SCHEMBL2595412 0.78 HSD17B10 (0.56) HSD17B10KMT2AALDH1A1CYP1A2TDP1

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-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 — — US disclosed
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