SCHEMBL7806597

SCHEMBL7806597

Nc1ccc(-c2cccc(NO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.48
KDR P35968 1/20 0.45
SYK P43405 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
MAOA P21397 1/20 0.43
CNR1 P21554 2/20 0.41
CYP2C9 P11712 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
IDO1 P14902 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL1100537 0.86 MAOA (0.56) CYP3A4TDP1KDRSYKMGLL
SCHEMBL5194867 0.83 MGLL (0.61) MGLLCNR1HDAC1IDO1SIRT2
SCHEMBL3788673 0.80 TAAR1 (0.52) TAAR1CYP3A4TDP1HSD17B10SYK
SCHEMBL1098168 0.78 ALDH1A1 (0.58) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL14309787 0.78 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL309757 0.78 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL14302425 0.78 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL22289315 0.77 ALDH1A1 (0.67) TAAR1CYP3A4TDP1HSD17B10SYK
SCHEMBL4654909 0.77 ALDH1A1 (0.67) HSD17B10MGLLALDH1A1HSD17B1HSD17B2
SCHEMBL13214340 0.76

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-6316170-B2 COATING, EXPOSURE, DEVELOPMENT AND HEAT TREATMENT KABUSHIKI KAISHA TOSHIBA (JP) 2001-11-13 US claimed
US-20010006767-A1 Developing solution and method of forming polyimide pattern by using the developing solution YOSHIAKI KAWAMONZEN 2001-07-05 US claimed
US-6316170-B2 COATING, EXPOSURE, DEVELOPMENT AND HEAT TREATMENT KABUSHIKI KAISHA TOSHIBA (JP) 2001-11-13 US disclosed
US-20010006767-A1 Developing solution and method of forming polyimide pattern by using the developing solution YOSHIAKI KAWAMONZEN 2001-07-05 US disclosed
US-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed