SCHEMBL10551237

SCHEMBL10551237

N#Cc1cnn2c1NCC=C2c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
HTT P42858 2/20 0.36
CYP11B2 P19099 2/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 2/20 0.32
NOTUM Q6P988 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
ABL1 P00519 1/20 0.32
ADORA2A P29274 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
TSHR P16473 1/20 0.32
KCNH2 Q12809 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL10554610 0.86 KDM4E (0.39) LMNAKDM4EALDH1A1POLBRXFP1
SCHEMBL10554793 0.84 RXRA (0.43) KDM4EALDH1A1HPGDNOTUMADORA2A
SCHEMBL10553556 0.82 KDM4E (0.40) LMNAKDM4EALDH1A1POLBRXFP1
SCHEMBL10555308 0.80 CHUK (0.36) CYP11B2KDM4ERXFP1HPGDADORA2A
SCHEMBL10554560 0.78 CYP11B2 (0.39) CYP11B2LMNAKDM4EALDH1A1HPGD
SCHEMBL9468466 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDHRH1
SCHEMBL10552707 0.77 LRRK2 (0.43) HTTKDM4EALDH1A1RXFP1HPGD
SCHEMBL10553054 0.77 LRRK2 (0.38)
SCHEMBL9468321 0.73 CSNK2A1 (0.46) HTTKDM4EALDH1A1RXFP1HPGD
SCHEMBL9468407 0.72 KDM4E (0.42) KDM4ERXRARXRBRXRGEGLN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed