SCHEMBL10692029

SCHEMBL10692029

C=CCN(CC=C)c1ccccc1C(=C)c1ccccc1N(CC=C)CC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 3/20 0.35
C5AR1 P21730 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.31
ALDH1A1 P00352 4/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL2521366 0.90 PTPN1 (0.38) PTPN1CYP3A4CYP1A2C5AR1KDM4E
SCHEMBL89548 0.83 ALDH1A1 (0.50) PTPN1ALOX5CYP3A4CYP1A2C5AR1
SCHEMBL8946208 0.83 CYP1A2 (0.41) PTPN1ALOX5CYP3A4CYP1A2C5AR1
SCHEMBL278676 0.81 PTPN1 (0.47) PTPN1CYP3A4KDM4ETSHRSMN1; SMN2
SCHEMBL6382727 0.81 PTPN1 (0.37) PTPN1CYP3A4CYP1A2C5AR1KDM4E
SCHEMBL655212 0.80 KDM4E (0.46) PTPN1ALOX5CYP3A4C5AR1KDM4E
SCHEMBL21084683 0.80 PTPN1 (0.44) PTPN1ALOX5CYP3A4CYP1A2C5AR1
SCHEMBL14989370 0.80 PTPN1 (0.33) PTPN1KDM4E
SCHEMBL83996 0.78 AKR1C3 (0.46) PTPN1CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL11297700 0.78 CYP1A2 (0.41) PTPN1CYP1A2C5AR1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63258836-A None JP disclosed
JP-S63258836-A PRODUCTION OF ETHENE DERIVATIVE RICOH CO LTD 1988-10-26 JP disclosed