SCHEMBL2463989

SCHEMBL2463989

C[C@H](N=Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
G6PC1 P35575 1/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
PTGS2 P35354 2/20 0.41
HTT P42858 1/20 0.40
MIF P14174 2/20 0.39

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
SCHEMBL2463987 1.00 MAPT (0.47) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2465256 1.00 MAPT (0.47) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2465254 1.00 MAPT (0.47) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL3149789 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2464450 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL14860293 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL11347523 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL15434186 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL2464447 0.87 ALDH1A1 (0.54) MAPTALDH1A1HPGDGAAKDM4E
SCHEMBL14860641 0.84 MAPT (0.49) MAPTALDH1A1HPGDGAAKDM4E

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 10 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
EP-2544818-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION Council of Scientific & Industrial Research (IN) 2013-01-16 EP disclosed
WO-2011110895-A1 CHIRAL HETEROGENEOUS CATALYST FOR ASYMMETRIC NITROALDOL REACTION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-09-15 WO disclosed