SCHEMBL27775136

SCHEMBL27775136

O=C(O)c1cccnc1-n1cccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.60
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 7/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALOX15 P16050 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
AGER Q15109 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.53
NAPRT Q6XQN6 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
DHODH Q02127 2/20 0.45
KDM6B O15054 1/20 0.45
KDM6A O15550 1/20 0.45
TET3 O43151 1/20 0.45

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
Hydrochloric Acid SCHEMBL17746081 0.98 MYC (0.58) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL22719451 0.83 MYC (0.54) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL29551359 0.79 MYC (0.57) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL7090852 0.79 MYC (0.57) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL16155571 0.78 MYC (0.60) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL17793767 0.76 MYC (0.54) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL15714407 0.75 MYC (1.00) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL3309889 0.75 KMT2A (0.70) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL15294735 0.75 KMT2A (0.70) MYCKDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL30477850 0.75 KMT2A (0.70) MYCKDM4ETDP1ALDH1A1L3MBTL1

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
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed