SCHEMBL5518280

SCHEMBL5518280

Cc1c(N)ccc(-c2ccc(N)c(C)c2Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 10/20 0.43
TSHR P16473 6/20 0.43
PIK3CA P42336 1/20 0.43
TDP1 Q9NUW8 4/20 0.43
POLB P06746 2/20 0.43
THRB P10828 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35

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
Methane SCHEMBL29129777 0.97 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL30785388 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL8960736 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL7296077 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL8282372 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL767710 0.79 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL767268 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL6562515 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL27518859 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL5071450 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1POLB

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
US-4107151-A FROM POLYISOCYANATE, CHAIN POLYOL, AROMATIC DIAMINE, POLYOL OR AMINO ALCOHOL WITH URETHANE BOND IHARA CHEMICAL COMPANY CO., LTD. (JP) 1978-08-15 US claimed
US-7279543-B2 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2007-10-09 US disclosed
US-20040077819-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-04-22 US disclosed
EP-1396514-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-03-10 EP disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-4144027-A SHRINKPROOFING KERATIN-CONTAINING FABRICS BY REACTION WITH A POLYETHER POLYOL AND A DIISOCYANATE MILLIKEN RESEARCH CORPORATION (US) 1979-03-13 US disclosed
US-4107151-A FROM POLYISOCYANATE, CHAIN POLYOL, AROMATIC DIAMINE, POLYOL OR AMINO ALCOHOL WITH URETHANE BOND IHARA CHEMICAL COMPANY CO., LTD. (JP) 1978-08-15 US disclosed