SCHEMBL14860293

SCHEMBL14860293

C[C@@H](N=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 2/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL2464450 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL2464447 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL3149789 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL15434186 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL11347523 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860642 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860826 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL27974851 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860641 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E
SCHEMBL14860827 0.88 MAPT (0.49) ALDH1A1MAPTHPGDTDP1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102892505-B Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2015-02-11 CN claimed
US-8557726-B2 Chiral heterogeneous catalyst for assymmetric nitroaldol reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US claimed
US-20130096333-A1 Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-04-18 US claimed
CN-102892505-A Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2013-01-23 CN claimed
CN-102892505-B Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2015-02-11 CN disclosed
US-8557726-B2 Chiral heterogeneous catalyst for assymmetric nitroaldol reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-10-15 US disclosed
US-20130096333-A1 Chiral Heterogeneous Catalyst for Assymmetric Nitroaldol Reaction COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-04-18 US disclosed
CN-102892505-A Chiral heterogeneous catalyst for asymmetric nitroaldol reaction COUNCIL SCIENT IND RES 2013-01-23 CN disclosed