SCHEMBL12473282

SCHEMBL12473282

COc1ccc2nc(-c3cc4ccccc4s3)nc(C(N)CCN(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.42
▸ POLB P06746 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.35
▸ PTGDR Q13258 1/20 0.35

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
SCHEMBL12473356 0.87 KDM1A (0.49) KDM1APOLBRAD52HTR2AKDM4E
SCHEMBL12473279 0.83 KDM1A (0.42) KDM1AKDM4EMAPTMEN1JAK2
SCHEMBL12473443 0.81 KDM4E (0.41) POLBRAD52RXFP1HTR2AHTR2C
SCHEMBL1289455 0.78 RAD52 (0.59) KDM1APOLBRAD52RXFP1KMT2A
SCHEMBL12473328 0.77 KMT2A (0.42) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL12473416 0.74 KDM4E (0.46) POLBRAD52RXFP1KDM4EMAPT
SCHEMBL12473354 0.69 KDM1A (0.49) KDM1AATMALDH1A1LMNAHPGD
SCHEMBL1289571 0.69 ALDH1A1 (0.65) KDM1APOLBRAD52RXFP1KMT2A
Hydrochloric Acid SCHEMBL4511312 0.68 ALDH1A1 (0.67) KDM1APOLBRAD52RXFP1KMT2A
SCHEMBL12473301 0.67 APP (0.37) HTR2CALDH1A1

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
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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