SCHEMBL6714846

SCHEMBL6714846

Clc1cccc(N2CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
MAPT P10636 1/20 0.75
ALOX12 P18054 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
HTR1A P08908 2/20 0.74
HTR2A P28223 2/20 0.74
HTR7 P34969 2/20 0.74
HTR6 P50406 2/20 0.74
HTR3E A5X5Y0 2/20 0.74
HTR3B O95264 2/20 0.74
HTR3A P46098 2/20 0.74
HTR3D Q70Z44 2/20 0.74
HTR3C Q8WXA8 2/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
ADRB1 P08588 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
THRB P10828 1/20 0.74

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
SCHEMBL11100857 1.00 ALDH1A1 (0.75) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL9646111 0.94 ALDH1A1 (0.73) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL29595602 0.91 HTR3E (0.69) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL26770369 0.91 HTR3E (0.69) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL1822683 0.91 HTR3E (0.69) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL30407444 0.91 HTR3E (0.69) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL11210900 0.90 ALDH1A1 (0.69) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL1384496 0.90 HTR1A (0.65) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL1384498 0.90 KCNH2 (0.65) ALDH1A1LMNAMAPTALOX12SMN1; SMN2
SCHEMBL11922752 0.89 HTR3E (0.67) ALDH1A1LMNAMAPTALOX12SMN1; SMN2

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-20040123555-A1 Pre manufactured structural panel consisting of a flame retardant external crust and an aeroboard core fabricated from laminations of uncompressed cardboard, impregnated by resin solutions recovered from post consumer thermoplastics COLE JEFFERSON ANTHONY (TT) 2004-07-01 US claimed
EP-0251011-B1 INDOLYL PROPIONIC ACIDS BAYER AG (DE) 1990-10-24 EP disclosed
US-4843091-A Indolylpropionic acids, compositions of, and use thereof to inhibit thrombocyte aggregation BAYER AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
EP-0251011-A1 Indolyl propionic acids BAYER AG (DE) 1988-01-07 EP disclosed
US-4477635-A Polymeric triarylmethane dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-16 US disclosed