SCHEMBL25930778

SCHEMBL25930778

COc1cccc(NN)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 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
Bromide SCHEMBL20984941 0.98 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL20984506 0.98 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
Sulfuric Acid SCHEMBL20984874 0.90 NFE2L2 (0.42) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL8795380 0.83 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL8139679 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL21893783 0.82 APP (0.43) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL11415861 0.80 JAK2 (0.43) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL126417 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL29457620 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL3790244 0.78 CA1 (0.58) ALDH1A1MAPTKDM4ESMN1; SMN2CA12

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-2023144332-A1 TETRAHYDROPYRANOPYRAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS GENASE THERAPEUTICS B.V. (NL) 2023-08-03 — — WO disclosed
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