SCHEMBL8970262

SCHEMBL8970262

Cc1nccc(-c2ccn[c]n2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CDK2 P24941 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
DYRK1A Q13627 1/20 0.36
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 6/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
GRM4 Q14833 1/20 0.33
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL9355962 0.81 KDM4E (0.53) KDM4ELMNAALDH1A1POLBCDK2
SCHEMBL17701245 0.69 F2RL1 (0.31)
SCHEMBL15470591 0.68 CCR1 (0.67) KDM4ELMNAALDH1A1POLBCDK2
SCHEMBL14970145 0.68 KDM4E (0.61) KDM4ELMNAALDH1A1POLBRAB9A
SCHEMBL9594088 0.68 HSP90AA1 (0.37) CDK2MAPT
SCHEMBL558888 0.68 KDM4E (0.58) KDM4ELMNAALDH1A1POLBRAB9A
SCHEMBL543415 0.68 RAB9A (0.50) KDM4ELMNAALDH1A1RAB9AMAPT
SCHEMBL557963 0.67 CYP1A1 (0.38) ALDH1A1DYRK1BDYRK1AGAAMAPT
SCHEMBL5165179 0.67 CDK4 (0.45) KDM4ELMNAALDH1A1POLBCDK2
SCHEMBL316318 0.67 KDM4E (0.33) KDM4ELMNAALDH1A1POLBRAB9A

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-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed