SCHEMBL28279381

SCHEMBL28279381

N#Cc1ccc(NCC(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
GRK2 P25098 1/20 0.53
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
MMP3 P08254 2/20 0.49
MMP2 P08253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL30366810 0.84 CA1 (0.56) ALDH1A1PKMCA12CA1CA2
SCHEMBL361315 0.81 ALDH1A1 (0.50) ALDH1A1PKMCA12CA1CA2
SCHEMBL8771796 0.80 CA1 (0.51) ALDH1A1PKMCA12CA1CA2
SCHEMBL16208418 0.79 MAPT (0.67) ALDH1A1PKMCA12CA1CA2
SCHEMBL16208437 0.79 ALDH1A1 (0.59) ALDH1A1PKMCA12CA1CA2
SCHEMBL20941653 0.79 ALDH1A1 (0.59) ALDH1A1PKMCA12CA1CA2
SCHEMBL20942593 0.79 KMT2A (0.53) ALDH1A1PKMCA12CA1CA2
SCHEMBL29245704 0.77 MAPT (0.51) ALDH1A1PKMCA12CA1CA2
SCHEMBL15691472 0.77 ALDH1A1 (0.50) ALDH1A1PKMCA12CA1CA2
SCHEMBL28470399 0.77 KMT2A (0.55) ALDH1A1CA12CA1CA2CA7

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-109313387-A Photosensitive polymer combination 东丽株式会社 2019-02-05 CN disclosed