SCHEMBL11793328

SCHEMBL11793328

CCN(CCC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL397442 0.83 GFER (0.54) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11714694 0.83 SMN1; SMN2 (0.48) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL8018555 0.82 KMT2A (0.54) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL16617204 0.82 ALDH1A1 (0.44) MAPTKMT2AMEN1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL11594933 0.82 GFER (0.53) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL10794734 0.81 MAPT (0.50) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL11505543 0.81 EPHX2 (0.45) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL2468699 0.81 MAPT (0.56) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11694232 0.80 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8940098 0.80 KMT2A (0.53) MAPTKMT2AMEN1SMN1; SMN2GAA

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-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 — — US disclosed
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