SCHEMBL11485485

SCHEMBL11485485

N#Cc1c(-c2ccccc2)cc(N2CCCCCC2)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.50
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ADORA1 P30542 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL11361940 1.00 ADORA2A (0.50) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11484639 0.99 KDM4E (0.49) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL1162642 0.91 ADORA2A (0.42) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11486783 0.88 MAPT (0.50) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11354056 0.87 KDM4E (0.54) ADORA2AHPGDKDM4EALDH1A1HSD17B10
SCHEMBL11491085 0.87 KDM4E (0.46) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11464145 0.87 MEN1 (0.46) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11490087 0.87 MET (0.52) KDM4EALDH1A1POLBLMNAHTT
SCHEMBL11485030 0.87 KDM4E (0.48) ADORA2AHPGDKDM4EALDH1A1RXFP1
SCHEMBL11490910 0.85 L3MBTL1 (0.40) ADORA2AHPGDKDM4EALDH1A1RXFP1

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
US-4182887-A ANTIPHLOGISTIC, ANTITHROMBOTIC BOEHRINGER INGELHEIM GMBH (DE) 1980-01-08 — — US disclosed
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