SCHEMBL9876394

SCHEMBL9876394

O=C(CSc1ncc[nH]1)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRMT5 O14744 3/20 0.48
WDR77 Q9BQA1 3/20 0.48
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.47
MAPK10 P53779 1/20 0.46
NPY5R Q15761 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
Hydrochloric Acid SCHEMBL9487708 0.86 SMN1; SMN2 (0.53) ALDH1A1LMNAMEN1KMT2APOLB
Bromide SCHEMBL9876210 0.83 PRMT5 (0.52) ALDH1A1LMNAMEN1KMT2APRMT5
Hydrochloric Acid SCHEMBL9875243 0.83 KMT2A (0.52) ALDH1A1LMNAMEN1KMT2APRMT5
Hydrochloric Acid SCHEMBL9488329 0.76 GABRP (0.58) ALDH1A1LMNAKMT2APRMT5WDR77
SCHEMBL14027509 0.76 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL9484293 0.76 GABRP (0.41) ALDH1A1LMNAKMT2AHDAC1NPY5R
SCHEMBL11883414 0.72 ALDH1A1 (0.73) ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL14397981 0.72 ALDH1A1 (0.73) ALDH1A1KMT2AL3MBTL1HPGD
SCHEMBL9483617 0.70 TP53 (0.48) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL8672570 0.70 ALDH1A1 (0.71) ALDH1A1LMNAKMT2APOLBMAPT

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-5025015-A Antisecretory and antiulcer agents PIERRE FABRE MEDICAMENT (FR) 1991-06-18 US claimed
US-5025015-A Antisecretory and antiulcer agents PIERRE FABRE MEDICAMENT (FR) 1991-06-18 US disclosed