SCHEMBL11675672

SCHEMBL11675672

Cc1cc2c(cc1N)Nc1cc(N(C)C)ccc1N2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ S100B P04271 1/20 0.36
▸ TSHR P16473 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ APP P05067 4/20 0.32
▸ TERT O14746 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ SNCA P37840 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL10533608 0.83 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1ALOX15
SCHEMBL16385874 0.80 ALDH1A1 (0.50) APAF1ALDH1A1CYP3A4TDP1MAPK1
SCHEMBL3931877 0.80 APAF1 (0.43) APAF1ALDH1A1CYP3A4TDP1MAPK1
Hydrochloric Acid SCHEMBL28617143 0.79 APAF1 (0.46) APAF1ALDH1A1CYP3A4TDP1MAPK1
Hydrochloric Acid SCHEMBL735161 0.79 APAF1 (0.46) APAF1ALDH1A1CYP3A4TDP1MAPK1
Hydrochloric Acid SCHEMBL20676747 0.79 APAF1 (0.42) APAF1ALDH1A1CYP3A4TDP1MAPK1
Hydrochloric Acid SCHEMBL29061568 0.79 APAF1 (0.42) APAF1ALDH1A1CYP3A4TDP1MAPK1
SCHEMBL10048542 0.73 APAF1 (0.41) APAF1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL33872 0.73 S100B (0.61) APAF1ALDH1A1CYP3A4TDP1MAPK1
SCHEMBL29442599 0.73 S100B (0.61) APAF1ALDH1A1CYP3A4TDP1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4012292-A ELECTRICAL CANON KABUSHIKI KAISHA (JA) 1977-03-15 — — US disclosed
US-3974041-A Image recording member with zeolitic water containing compounds CANON KABUSHIKI KAISHA (JA) 1976-08-10 — — US disclosed
US-3936361-A ELECTROCONDUCTIVITY TAKATORI YASUSHI 1976-02-03 — — US disclosed
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