SCHEMBL9618341

SCHEMBL9618341

O=C(O)CN1c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA9 Q16790 1/20 0.65
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 2/20 0.48
APEX1 P27695 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
PTGES O14684 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL3373741 0.83 CA12 (0.53) CA12CA9KMT2AMEN1KDM4E
SCHEMBL5087842 0.83 MEN1 (0.55) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL12311066 0.83 MEN1 (0.69) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL16432726 0.83 CA12 (0.53) CA12CA9KMT2AMEN1KDM4E
SCHEMBL15486077 0.83 KDM4E (0.55) CA12CA9KMT2AMEN1KDM4E
SCHEMBL13444611 0.82 CA12 (0.47) CA12CA9KMT2AMEN1KDM4E
SCHEMBL21027093 0.80 TP53 (0.51) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL522649 0.79 CA12 (1.00) CA12CA9KMT2AMEN1KDM4E
SCHEMBL29744481 0.79 CA12 (1.00) CA12CA9KMT2AMEN1KDM4E
SCHEMBL14421169 0.79 CA12 (0.44) CA12CA9KMT2AMEN1KDM4E

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
JP-4295408-A None JP disclosed
JP-H04295408-A BONDING COMPOSITION MITSUI PETROCHEM IND LTD 1992-10-20 JP disclosed