SCHEMBL14860641

SCHEMBL14860641

Cc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 2/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.40
MIF P14174 2/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38

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
SCHEMBL14860642 1.00 MAPT (0.49) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL14860826 1.00 MAPT (0.49) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL27974851 1.00 MAPT (0.49) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL14860827 1.00 MAPT (0.49) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL14860293 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL2464447 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL11347523 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL3149789 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL2464450 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2
SCHEMBL15434186 0.88 ALDH1A1 (0.54) MAPTALDH1A1HPGDKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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