SCHEMBL9319634

SCHEMBL9319634

CCN(c1ccc(C)cc1)c1cccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
CYP3A4 P08684 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 1/20 0.60
HIF1A Q16665 1/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR55 Q9Y2T6 2/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
TYMS P04818 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9319630 0.85 ALDH1A1 (0.63) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL9180170 0.84 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL10888051 0.81 TDP1 (0.67) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL12726666 0.77 TDP1 (0.79) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL18143522 0.77 ALDH1A1 (1.00) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL27188 0.77 ALDH1A1 (1.00) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL9319642 0.76 ALDH1A1 (0.78) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL3176397 0.76 ALDH1A1 (0.82) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL28034105 0.76 TDP1 (0.82) TDP1CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL28008 0.76 ALDH1A1 (0.69) TDP1CYP3A4ALDH1A1HSD17B10HPGD

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
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
US-4977132-A CONTAINING FLUORAN DERIVATIVE, PHTHALIDE DERIVATIVE, PHENOLIC COMPOUND; STORAGE STABILITY KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-12-11 US disclosed
EP-0349194-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-01-03 EP disclosed