SCHEMBL27809189

SCHEMBL27809189

C1=CC(c2ccccc2)(c2ccccc2)N=C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27972084 0.98 ALDH1A1 (0.30) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL9877949 0.79 PNMT (0.35)
SCHEMBL28039715 0.73 OPRM1 (0.31)
SCHEMBL9034778 0.73 ALDH1A1 (0.38) ALDH1A1LMNAGAAPAX8MCL1
SCHEMBL28001777 0.73 TSHR (0.37) ALDH1A1LMNA
Methane SCHEMBL28848706 0.71 OPRM1 (0.30)
SCHEMBL1330599 0.69 AKR1C1 (0.37) LMNA
SCHEMBL27911644 0.67 MEN1 (0.37)
SCHEMBL27286322 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28833868 0.66

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-106986876-B A kind of targeting marks fluorescence probe, its preparation and the application of eye lens epithelial cell 北京理工大学 2019-02-19 CN claimed
CN-104178133-A Fluorescent material capable of visual detection of ammonia gas as well as preparation method and application of fluorescent material BEIJING INST TECHNOLOGY 2014-12-03 CN claimed
CN-101801188-A Methods and compositions for the treatment of cancer, tumors, and tumor-related disorders TRAGARA PHARMACEUTICALS INC 2010-08-11 CN claimed
CN-106748954-A A kind of fluorescent chemicals, preparation method and application for detecting micro cryanide ion 北京理工大学 2017-05-31 CN disclosed
CN-104039801-B TUNGSTEN OXO ALKYLIDENE COMPLEXES FOR Z SELECTIVE OLEFIN METATHESIS 麻省理工学院 2017-05-10 CN disclosed
CN-104649949-A Pure organic D-pi-A type photosensitive dye as well as preparation method and application thereof UNIV NANJING INF SCI & TECH 2015-05-27 CN disclosed
CN-104178133-A Fluorescent material capable of visual detection of ammonia gas as well as preparation method and application of fluorescent material BEIJING INST TECHNOLOGY 2014-12-03 CN disclosed
CN-102898343-B Method for preparing poly-substituted pyrrole derivatives UNIV TSINGHUA 2014-03-12 CN disclosed
CN-102898343-A Method for preparing poly-substituted pyrrole derivatives UNIV TSINGHUA 2013-01-30 CN disclosed
CN-101801188-A Methods and compositions for the treatment of cancer, tumors, and tumor-related disorders TRAGARA PHARMACEUTICALS INC 2010-08-11 CN disclosed