SCHEMBL18985485

SCHEMBL18985485

CCOc1c(-c2ccn(CC)n2)ccc(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.39
▸ ADRA1A P35348 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACSS2 Q9NR19 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
SCHEMBL18985804 0.74 LRRK2 (0.47) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL28174563 0.69 MAPT (0.47) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17688945 0.66 TLR8 (0.45) JMJD6ADRA1AKDM4EMAPTKMT2A
SCHEMBL15096492 0.65 JMJD6 (0.39) JMJD6ADRA1AALDH1A1MAPTKMT2A
SCHEMBL24027041 0.65 ACSS2 (0.40) JMJD6ADRA1AKDM4EMEN1ALDH1A1
SCHEMBL16823798 0.65 HTT (0.43) JMJD6ALDH1A1POLBMAPTKMT2A
SCHEMBL31306191 0.64 KEAP1 (0.61) JMJD6ADRA1AKDM4EMEN1ALDH1A1
SCHEMBL18985809 0.63 AAK1 (0.38) KDM4EMAPT
SCHEMBL27571353 0.63 MAPT (0.52) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL28964159 0.63 KMT2A (0.47) JMJD6ADRA1AKDM4EALDH1A1KMT2A

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
EP-3390387-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-10-24 — — EP disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — WO disclosed
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