SCHEMBL11800243

SCHEMBL11800243

N#CCCN(CCC(=O)O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ POLB P06746 2/20 0.48
▸ MLYCD O95822 1/20 0.46
▸ ALDH1A1 P00352 10/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ GABRA2 P47869 1/20 0.39

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
SCHEMBL11330158 0.86 USP2 (0.51) USP2HSD17B10POLBMLYCDALDH1A1
SCHEMBL11881160 0.86 USP2 (0.62) USP2HSD17B10POLBALDH1A1LMNA
SCHEMBL2804456 0.86 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2323987 0.86 USP2 (0.53) USP2HSD17B10POLBMLYCDALDH1A1
SCHEMBL9323700 0.85 USP2 (0.55) USP2HSD17B10POLBMLYCDALDH1A1
SCHEMBL11796642 0.82 ALDH1A1 (0.46) USP2HSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL11714779 0.81 SMN1; SMN2 (0.55) USP2HSD17B10ALDH1A1MEN1KMT2A
Water SCHEMBL28635299 0.81 USP2 (0.50) USP2HSD17B10POLBMLYCDALDH1A1
SCHEMBL202397 0.81 USP2 (0.50) USP2HSD17B10POLBMLYCDALDH1A1
SCHEMBL11799862 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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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