SCHEMBL8230259

SCHEMBL8230259

Clc1cccc(-n2ncnn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
PKM P14618 1/20 0.45
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 2/20 0.43
FLT3 P36888 2/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41

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
SCHEMBL27648726 0.90 PKM (0.46) NOTUMPKMMGLLALDH1A1MAPT
SCHEMBL9272142 0.77 MEN1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8470236 0.77 PDPK1 (0.35)
SCHEMBL2211763 0.74 KDM4E (0.46) NOTUMPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL19106909 0.73 RXRA (0.41) NOTUMALDH1A1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5189603 0.73 KDM4E (0.44) NOTUMPKMALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL28126767 0.73 KDM4E (0.44) NOTUMPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL27648801 0.72 NOTUM (0.46) NOTUMPKMMGLLALDH1A1MAPT
SCHEMBL27704435 0.72 PKM (0.44) NOTUMPKMMGLLALDH1A1MAPT
SCHEMBL3228579 0.71 KDM4E (0.59) NOTUMPKMMGLLALDH1A1MAPT

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
EP-0611232-A1 Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1994-08-17 EP claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
EP-0611232-A1 Process for the preparation of phenylbenzamide derivatives RHONE-POULENC AGROCHIMIE (FR) 1994-08-17 EP disclosed