SCHEMBL7900541

SCHEMBL7900541

CC(C)CC(=S)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL19695817 0.88 ALDH1A1 (0.54) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL7900537 0.85 ALDH1A1 (0.48) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL9032101 0.80 HRH2 (0.39) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL12695963 0.80 PTPN1 (0.47) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL3686150 0.79 ALDH1A1 (0.51) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14369503 0.78 ALDH1A1 (0.58) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL15907989 0.76 ALDH1A1 (0.48) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL13498680 0.76 ALDH1A1 (0.46) HPGDALDH1A1MEN1KMT2A
SCHEMBL10168511 0.76 ALDH1A1 (0.47) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL8828394 0.76 ALDH1A1 (0.45) HPGDALDH1A1MEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217845-B1 IMAGING; THERAPY ANORMED, INC. (CA) 2001-04-17 US disclosed
US-5206370-A Certain pyridyl hydrazines and hydrazides useful for protein labeling JOHNSON MATTHEY, INC. (US) 1993-04-27 US disclosed