SCHEMBL8303441

SCHEMBL8303441

CCc1ncnc(NCCc2ccc(Br)cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.47
GALR3 O60755 1/20 0.47
RAB9A P51151 1/20 0.44
NR2F2 P24468 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TMIGD3 P0DMS9 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL15684987 0.86 RAB9A (0.60) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL8307878 0.86 HTT (0.54) HTTGALR3RAB9ALMNASMN1; SMN2
SCHEMBL8303763 0.85 GALR3 (0.46) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL9085869 0.84 GALR3 (0.45) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL8308405 0.83 CNR1 (0.53) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL17133553 0.83 PDE2A (0.47) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL30487712 0.83 PDE2A (0.47) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL15684755 0.82 HTT (0.49) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL8306377 0.80 CNR1 (0.50) HTTGALR3RAB9ANR2F2TTBK1
SCHEMBL9185972 0.80 CCNC (0.51) HTTGALR3RAB9ANR2F2TTBK1

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-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 US disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed