SCHEMBL20121597

SCHEMBL20121597

Nc1cccc(NCC(O)Cn2c3ccc(Br)cc3c3cc(Br)ncc32)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.63
TSPO P30536 3/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 1/20 0.42
P2RX3 P56373 1/20 0.40
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
BAX Q07812 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 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
SCHEMBL18721786 0.91 DNM1 (0.76) DNM1TSPOMAPTHTTNPSR1
SCHEMBL407045 0.89 DNM1 (0.80) DNM1TSPOMAPTHTTNPSR1
SCHEMBL17932994 0.86 TSPO (0.65) DNM1TSPOMAPTHTTNPSR1
SCHEMBL30940007 0.86 TSPO (0.65) DNM1TSPOMAPTHTTNPSR1
SCHEMBL14700982 0.83 DNM1 (0.57) DNM1TSPOMAPTHTTNPSR1
SCHEMBL16923522 0.79 DNM1 (0.77) DNM1TSPOMAPTHTTNPSR1
SCHEMBL18721925 0.79 DNM1 (0.77) DNM1TSPOMAPTHTTNPSR1
SCHEMBL18721999 0.78 TSPO (0.68) DNM1TSPOMAPTHTTNPSR1
SCHEMBL410147 0.78 DNM1 (1.00) DNM1TSPOMAPTHTTNPSR1
SCHEMBL29351340 0.78 DNM1 (1.00) DNM1TSPOMAPTHTTNPSR1

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-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed