SCHEMBL10947890

SCHEMBL10947890

Nc1ccc(N)c(C(=O)O)c1.Nc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 4/20 0.72
TDP1 Q9NUW8 3/20 0.72
THRB P10828 2/20 0.72
RECQL P46063 2/20 0.72
USP2 O75604 1/20 0.72
POLB P06746 1/20 0.72
PKM P14618 1/20 0.72
APEX1 P27695 1/20 0.72
BLM P54132 1/20 0.72
MCL1 Q07820 1/20 0.72
KDM4E B2RXH2 4/20 0.53
GFER P55789 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 7/20 0.52
CYP3A4 P08684 3/20 0.52
TNF P01375 1/20 0.52
HSPD1 P10809 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL1027446 0.93 KMT2A (0.61) KMT2AMAPTMEN1TDP1THRB
SCHEMBL1554060 0.87 KMT2A (0.59) KMT2AMAPTMEN1TDP1THRB
SCHEMBL107833 0.87 KMT2A (0.95) KMT2AMAPTMEN1TDP1THRB
SCHEMBL712251 0.85 KDM4E (0.61) KMT2AMAPTMEN1TDP1THRB
Hydrochloric Acid SCHEMBL864766 0.85 KMT2A (1.00) KMT2AMAPTMEN1TDP1THRB
SCHEMBL4759903 0.82 ALDH1A1 (0.52) KMT2AMAPTMEN1TDP1THRB
SCHEMBL30024982 0.82 ALDH1A1 (0.52) KMT2AMAPTMEN1TDP1THRB
SCHEMBL5078313 0.82 POLB (0.57) KMT2AMAPTMEN1TDP1THRB
SCHEMBL710634 0.82 KMT2A (0.63) KMT2AMAPTMEN1TDP1THRB
SCHEMBL9645846 0.80 POLB (0.63) KMT2AMAPTMEN1TDP1POLB

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
US-4556706-A Heavy metal-containing formazane dyes containing a fiber-reactive fluorotriazine group CIBA GEIGY CORPORATION (US) 1985-12-03 US disclosed