SCHEMBL10399748

SCHEMBL10399748

CN(C)/C=C1\C(=O)N(c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.59
HPN P05981 1/20 0.48
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 5/20 0.45
APP P05067 2/20 0.45
SNCA P37840 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10399750 1.00 SCN2A (0.59) SCN2AHPNALDH1A1HSD17B10MAPT
SCHEMBL10399763 0.87 SCN2A (0.56) SCN2AALDH1A1HSD17B10MAPTAPP
SCHEMBL10399765 0.87 SCN2A (0.56) SCN2AALDH1A1HSD17B10MAPTAPP
SCHEMBL10398754 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10398755 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10398636 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10398635 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10399734 0.81 MAPT (0.63) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10399731 0.81 MAPT (0.63) ALDH1A1HSD17B10MAPTAPPSNCA
SCHEMBL10399801 0.81 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTAPPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977178-A Method of treating anxiety and depression with 1-phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1990-12-11 US disclosed
US-4879391-A 1-Phenyl-2(1H,3H)-indolone psychotherapeutic agents PFIZER INC. (US) 1989-11-07 US disclosed
EP-0104860-B1 1-PHENYL-2(1H,3H)-INDOLONE PSYCHO-THERAPEUTIC AGENTS PFIZER INC. (US) 1987-03-18 EP disclosed
US-4476307-A Heteroylidene indolone compounds PFIZER INC. (US) 1984-10-09 US disclosed
EP-0104860-A1 1-Phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1984-04-04 EP disclosed