SCHEMBL10390652

SCHEMBL10390652

CC(=O)Nc1cccc(C(=O)C(C)Br)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 5/20 0.52
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 1/20 0.51
NTSR1 P30989 1/20 0.50
ATM Q13315 1/20 0.50
CRHR1 P34998 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL27744090 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL28029397 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL474709 0.81 KMT2A (0.70) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL6209273 0.80 LMNA (0.54) ALDH1A1HSD17B10RAB9ATP53LMNA
SCHEMBL16738057 0.79 POLB (0.61) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL11682733 0.78 RAB9A (0.54) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL7023178 0.78 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL31022695 0.78 MEN1 (0.62) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL758991 0.78 MEN1 (0.62) ALDH1A1HSD17B10CYP1A2RAB9ATP53
SCHEMBL11129363 0.77 PKM (0.61) ALDH1A1HSD17B10CYP1A2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963570-A ANTIDEPRESSANTS; CENTRAL NERVOUS SYSTEM LABORATOIRE L. LAFON (FR) 1990-10-16 US disclosed
US-4933442-A 1-(acetylaminophenyl)-2-aminopropanone derivatives and central nervous system antidepressant compositions LABORATOIRE L. LAFON (FR) 1990-06-12 US disclosed
US-4877812-A 1-(acetylaminophenyl)-2-aminopropanone derivatives and antidepressant compositions thereof LABORATOIRE L. LAFON (FR) 1989-10-31 US disclosed