SCHEMBL987173

SCHEMBL987173

O=C=Nc1ccc(C(c2ccncc2)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP3A4 P08684 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
CYP17A1 P05093 1/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL93536 0.88 CYP3A4 (0.54) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL6764690 0.82 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL6559011 0.82 CYP3A4 (0.48) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL485811 0.81
SCHEMBL295315 0.80 CYP3A4 (0.47) SLC6A2SLC6A4SLC6A3CYP3A4TSHR
SCHEMBL17366386 0.78 CYP3A4 (0.45) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL13081964 0.76 CYP19A1 (0.49) CYP19A1CYP3A4TSHRMAPK1TDP1
SCHEMBL13322471 0.74 CYP3A4 (0.41) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL16593796 0.74 MAPK1 (0.43) CYP3A4TSHRMAPK1TDP1TRPA1
SCHEMBL940972 0.74 CYP3A4 (0.38) CYP3A4TSHRMAPK1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021918-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-01-27 US disclosed
US-20110021917-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF THE SAME, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR USING THE SAME, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110004102-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE SAME, METHOD FOR PRODUCING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-06 US disclosed