SCHEMBL28061333

SCHEMBL28061333

CNc1ncnc2c1ncn2-n1cnc2c(NCCC(C)C)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 2/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CCNB2 O95067 4/20 0.48
▸ CDK1 P06493 4/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ CCNB3 Q8WWL7 4/20 0.48
▸ TSHR P16473 1/20 0.45
▸ P2RY1 P47900 2/20 0.44
▸ TMIGD3 P0DMS9 3/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA1 P30542 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PDE3B Q13370 1/20 0.43

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
SCHEMBL27871292 0.78 RAB9A (0.49) RAB9AKMT2ACCNB2CDK1CCNB1
SCHEMBL7561785 0.76 CCNB2 (0.49) RAB9AKMT2ACCNB2CDK1CCNB1
SCHEMBL26255179 0.76 YTHDC1 (0.63) YTHDC1RAB9AKMT2ACCNB2CDK1
SCHEMBL5628450 0.74 CYP1A2 (0.50) YTHDC1RAB9AKMT2ACCNB2CDK1
SCHEMBL29242837 0.74 YTHDC1 (0.58) YTHDC1ADORA2AADORA1PDE4APDE4B
Hydrochloric Acid SCHEMBL27460068 0.74 YTHDC1 (0.55) YTHDC1RAB9AKMT2ACCNB2CDK1
SCHEMBL19661692 0.71 ADORA2A (0.64) YTHDC1CCNB2CDK1CCNB1CCNB3
SCHEMBL18548917 0.70 YTHDC1 (0.62) YTHDC1P2RY1TMIGD3ADORA2AADORA1
SCHEMBL756298 0.70 YTHDC1 (0.62) YTHDC1CCNB2CDK1CCNB1CCNB3
Hydrochloric Acid SCHEMBL9195525 0.70 YTHDC1 (0.57) YTHDC1P2RY1ADORA2AADORA1PDE4A

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
CN-102639552-B RNA monomer containing O-acetal levulinyl ester group (O-acetal levulinyl ester) and application thereof in RNA microarray THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-05-25 — — CN disclosed
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