SCHEMBL3961483

SCHEMBL3961483

CC1=[N+](C)c2ccc(Cl)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
VDR P11473 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33

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
Iodide SCHEMBL6832522 0.98 MEN1 (0.42) TDP1LMNAMEN1MAPTTHRB
SCHEMBL7532656 0.78 MEN1 (0.40) TDP1LMNAMEN1MAPTTHRB
SCHEMBL16696020 0.78 MEN1 (0.40) TDP1LMNAMEN1MAPTTHRB
SCHEMBL15315509 0.78 MEN1 (0.40) TDP1LMNAMEN1MAPTTHRB
SCHEMBL14340362 0.78 MEN1 (0.40) TDP1LMNAMEN1MAPTTHRB
Iodide SCHEMBL5247675 0.76 LMNA (0.71) TDP1LMNAMEN1MAPTTHRB
SCHEMBL4615881 0.75 VDR (0.58) TDP1LMNAMEN1MAPTTHRB
SCHEMBL24967688 0.74 MEN1 (0.37) TDP1LMNAMEN1MAPTTHRB
SCHEMBL559385 0.74 TDP1 (0.42) TDP1LMNAMEN1MAPTTHRB
Hydrochloric Acid SCHEMBL4613582 0.74 VDR (0.57) TDP1LMNAMEN1MAPTTHRB

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
WO-2015066290-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-07 WO disclosed
WO-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 WO disclosed
EP-0176472-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1990-01-24 EP disclosed
US-4883866-A DYEING PAPER CIBA-GEIGY CORPORATION (US) 1989-11-28 US disclosed
EP-0176473-B1 METHINE AZO COMPOUNDS CIBA-GEIGY AG (CH) 1989-07-19 EP disclosed
US-4847364-A CATIONIC DYES FOR PAPER CIBA SPECIALTY CHEMICALS CORPORATION 1989-07-11 US disclosed
US-4754021-A DYEING PAPER, POLYACRYLONITRILE, POLYESTERS CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
EP-0176472-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 EP disclosed
EP-0176474-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 EP disclosed
EP-0176473-A1 Methine azo compounds CIBA-GEIGY AG (CH) 1986-04-02 EP disclosed