SCHEMBL29502817

SCHEMBL29502817

C1=Cc2nc1c(Nc1ccccc1)c1ccc([nH]1)c(Nc1ccccc1)c1nc(c(Nc3ccccc3)c3ccc([nH]3)c2Nc2ccccc2)C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.44
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALPG P10696 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PYGM P11217 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5013009 0.89 STAT3 (0.49) TOP1
SCHEMBL5134837 0.88 STAT3 (0.48) TOP1
SCHEMBL5013193 0.78 STAT3 (0.67) TOP1
SCHEMBL5133621 0.78 STAT3 (0.66) TOP1
SCHEMBL5135317 0.76 ABCG2 (0.41) KDM1ATOP1
SCHEMBL5134290 0.76 KMT2A (0.46) KDM1AMEN1MAPTKMT2AKDM4E
SCHEMBL5013660 0.76 TOP1 (0.56) TOP1
SCHEMBL29405434 0.67 TOP1 (0.64) TOP1
SCHEMBL30136 0.67 TOP1 (0.64) TOP1
Dimethylamine SCHEMBL21174852 0.66 TERT (0.58) TOP1

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-113150298-B Covalent organic polymer based on porphyrin and preparation method and application thereof 南通大学 2022-04-22 — — CN claimed
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