SCHEMBL10264641

SCHEMBL10264641

OC(CCI)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.62
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
P2RX3 P56373 1/20 0.58
BAX Q07812 2/20 0.57
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
RAD52 P43351 1/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.48
DNMT1 P26358 1/20 0.45
BACE1 P56817 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
SCHEMBL410834 0.87 DNM1 (0.73) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL12013711 0.82 DNM1 (0.68) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL411949 0.81 DNM1 (0.66) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL30939889 0.81 DNM1 (0.66) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL15592978 0.81 DNM1 (0.70) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL16099375 0.80 DNM1 (0.67) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL409802 0.80 DNM1 (0.62) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL411279 0.79 KMT2A (0.78) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL6819686 0.78 BAX (0.82) DNM1MAPTSMN1; SMN2P2RX3BAX
SCHEMBL16923669 0.78 DNM1 (0.67) DNM1MAPTSMN1; SMN2P2RX3BAX

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
WO-2012006419-A2 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed