SCHEMBL8714033

SCHEMBL8714033

c1ccc(CCn2ncnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MGLL Q99685 1/20 0.40
CYP19A1 P11511 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 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
SCHEMBL27499001 0.87 CYP19A1 (0.47) HRH3CYP19A1
Hydrochloric Acid SCHEMBL27498708 0.85 CYP19A1 (0.46) HRH3CYP19A1
SCHEMBL8784962 0.80 CYP19A1 (0.57) NPC1RAB9ASIGMAR1CYP19A1HTR1A
SCHEMBL6761768 0.75 CYP19A1 (0.61) HRH3NPC1MAPTRAB9ASLC6A3
SCHEMBL10247481 0.75 HMOX1 (0.57)
Hydrochloric Acid SCHEMBL410087 0.74 HMOX1 (0.56)
SCHEMBL2158738 0.73 TSHR (0.47) NPC1RAB9ACYP19A1
SCHEMBL10288500 0.72 CYP19A1 (0.47) HRH3RAB9AMGLLCYP19A1
SCHEMBL27519760 0.72 CYP19A1 (0.56) HRH3RAB9AMGLLCYP19A1HTR1A
SCHEMBL1776600 0.71 HMOX1 (0.41) HRH3SIGMAR1

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed