SCHEMBL30102431

SCHEMBL30102431

CCc1cc(NCCOc2ccc(C)cc2)c(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
DRD4 P21917 7/20 0.44
DRD3 P35462 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL30102414 0.74 PTGER4 (0.33) L3MBTL1ALDH1A1MAPTPTGER4
SCHEMBL30102413 0.74 HAT1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL30102484 0.74 KDM4E (0.37) DRD4ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL30102408 0.72 KCNQ2 (0.36) L3MBTL1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL12288186 0.70 HDAC6 (0.59) DRD2DRD4DRD3ALDH1A1TP53
SCHEMBL30102415 0.70 ACHE (0.33) PTGER4
SCHEMBL17487505 0.68 DRD4 (0.44) DRD2DRD4DRD3ALDH1A1HPGD
SCHEMBL29848341 0.66 MAPT (0.50) L3MBTL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL29093415 0.65 GALR3 (0.67) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL30575444 0.65 GALR3 (0.67) DRD2DRD4DRD3L3MBTL1ALDH1A1

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-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed