SCHEMBL7888296

SCHEMBL7888296

NCCc1ccc(OC(=O)c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
HTR2A P28223 2/20 0.40
CYP2A6 P11509 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL5705535 0.82 MAPT (0.50) MAPTPDE10AALDH1A1KDM4E
SCHEMBL7894547 0.81 MAPT (0.42) MAPTALDH1A1TP53
SCHEMBL22817985 0.80 MAPK1 (0.50) MAPTALDH1A1TOP2ATOP2BSMN1; SMN2
SCHEMBL27507766 0.80 MAPT (0.39) MAPTALDH1A1KDM4E
SCHEMBL7889880 0.80 BCHE (0.43) MAPTPDE10AALDH1A1TAAR1ITGB1
SCHEMBL7893003 0.79 HTR4 (0.50) HTR2A
SCHEMBL7797045 0.79 MAPT (0.48) MAPTPDE10AALDH1A1SMN1; SMN2TP53
SCHEMBL7045154 0.79 MAPT (0.56) MAPTPDE10AALDH1A1SMN1; SMN2TP53
SCHEMBL8149705 0.79 MAPT (0.56) MAPTALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL8151119 0.79 MAPT (0.55) MAPTALDH1A1SMN1; SMN2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6171520-B1 Reagents for labeling SH groups, process for the preparation of them and method for labeling with them SS PHARMACEUTICAL CO., LTD. (JP) 2001-01-09 US disclosed
US-6080591-A USEFUL IN BIOLOGICAL ASSAYS FOR DETERMINATION OF VITAMIN B12, FOLATE, CORTISOL, ESTRADIOL, AND THROMBOXANE B2 BAYER CORPORATION (US) 2000-06-27 US disclosed
EP-0844246-A1 REAGENTS FOR LABELING SH GROUPS, PROCESS FOR THE PREPARATION OF THEM, AND METHOD FOR LABELING WITH THEM SS Pharmaceutical Co., Ltd. (JP) 1998-05-27 EP disclosed
US-5663074-A INCUBATION OF FOLATE WITH AMINE REACTIVE COMPOUND, ACTIVATION AND INCUBATION THE ACRIDINIUM ESTER-FOLATE CONJUGATE CHIRON DIAGNOSTICS CORPORATION (US) 1997-09-02 US disclosed
US-5241070-A Biological analysis CIBA CORNING DIAGNOSTICS CORP. (US) 1993-08-31 US disclosed