SCHEMBL3676776

SCHEMBL3676776

NCCCc1ccccc1S

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 4/20 0.40
HRH1 P35367 1/20 0.40
MPO P05164 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2A6 P11509 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CHEK1 O14757 1/20 0.35
KIF11 P52732 1/20 0.34

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
SCHEMBL3676391 0.93 MAOA (0.50) TAAR1MAOAHTR2AHRH1MPO
SCHEMBL3680996 0.86 TAAR1 (0.56) TAAR1HTR2AHRH1MPOCYP2A6
SCHEMBL27952236 0.85 LIPG (0.34) TAAR1HTR2AMPOSLC6A4
Hydrochloric Acid SCHEMBL29261032 0.84 TAAR1 (0.54) TAAR1HTR2AHRH1MPOCYP2A6
SCHEMBL29943451 0.83 TAAR1 (0.50) TAAR1MAOAHTR2AHRH1MPO
SCHEMBL3678681 0.83 TAAR1 (0.50) TAAR1MAOAHTR2AHRH1MPO
SCHEMBL844907 0.80 TAAR1 (0.35) TAAR1MAOASLC6A4
SCHEMBL5174795 0.80 IDO1 (0.36) TAAR1SLC6A4CYP2A6
SCHEMBL3675447 0.79 TAAR1 (0.39) TAAR1MAOAHTR2AHRH1MPO
SCHEMBL10682655 0.77 POLB (0.38) MPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1212096-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME Brenner, Sydney (US) 2002-06-12 EP disclosed
WO-2001013958-A2 DRUG CONJUGATES AND METHODS OF DESIGNING THE SAME BRENNER SYDNEY (US) 2001-03-01 WO disclosed