SCHEMBL11505263

SCHEMBL11505263

ClNc1ccccc1N=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CHRM1 P11229 2/20 0.40
▸ TDP1 Q9NUW8 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPK1 P28482 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HBB P68871 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL11045373 0.82 L3MBTL1 (0.33) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL11036175 0.82 L3MBTL1 (0.33) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL11506905 0.79 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL20658883 0.79 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11597836 0.79 ALDH1A1 (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL2777689 0.78 ALDH1A1 (0.48) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL3266656 0.77 ALDH1A1 (0.75) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL10614449 0.75 ALDH1A1 (0.44) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11417120 0.73 MAPT (0.50) ALDH1A1CASP3SENP7SENP6SENP8
SCHEMBL11594104 0.72 ALDH1A1 (0.41) ALDH1A1CASP3SENP7SENP6SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150943-A Uniformly dyed water-swellable cellulosic fibers BASF AKTIENGESELLSCHAFT (DE) 1979-04-24 — — US disclosed
US-4146535-A Azo dyes having a 3-cyano- or 3-carbamoyl-2,6-diamino-pyridine coupling component BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 — — US disclosed
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