SCHEMBL9101144

SCHEMBL9101144

C=C(C)C(NCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC22A1 O15245 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
SCHEMBL10984487 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL10388847 0.78 MTOR (0.38) ALDH1A1KDM4EHPGDKMT2AGMNN
SCHEMBL30147199 0.78 CYP3A4 (0.56) ALDH1A1KDM4EHPGDKMT2AGMNN
SCHEMBL27985293 0.77 MTOR (0.39) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL10984756 0.75 HPGD (0.39) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL8979447 0.74 CYP2C19 (0.36) ALDH1A1KDM4EHPGDKMT2AGMNN
SCHEMBL14603052 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
Isopropylamine SCHEMBL525520 0.72 CYP3A4 (0.49) ALDH1A1KDM4EHPGDKMT2AGMNN
SCHEMBL10230720 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL355057 0.72 SMN1; SMN2 (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576393-A NARROW PARTICLE SIZE DISTRIBUTION; EMULSION POLYMERIZATION RICOH COMPANY, LTD. (JP) 1996-11-19 US disclosed
US-4468493-A High solid coating composition containing novel microparticles of crosslinked copolymer containing amphoionic groups NIPPON PAINT CO., LTD. (JP) 1984-08-28 US disclosed
US-4403065-A CARBOXY OR SULFONATE AMINE AND OTHER MONOMER NIPPON PAINT CO., LTD. (JP) 1983-09-06 US disclosed
US-4309327-A COATINGS, PIGMENT PASTES NIPPON PAINT CO., LTD. (JP) 1982-01-05 US disclosed