SCHEMBL8777579

SCHEMBL8777579

CN(C)c1ccc(N(Cc2c(-c3ccccc3)n(C)c3ccccc23)c2ccc(Cc3ccc(N(Cc4c(-c5ccccc5)n(C)c5ccccc45)c4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8777620 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDFNTAFNTB
SCHEMBL8777566 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDFNTAFNTB
SCHEMBL11478641 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10HPGDFNTAFNTB
SCHEMBL31558739 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDLMNACYP3A4
SCHEMBL10652634 0.70 ALDH1A1 (0.69) ALDH1A1HSD17B10HPGDFNTAFNTB
SCHEMBL8777785 0.69 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL18351210 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL8777589 0.68 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL13020864 0.68 ALDH1A1 (0.63) ALDH1A1HSD17B10LMNACYP3A4TSHR
SCHEMBL8777532 0.68 ALDH1A1 (0.38) ALDH1A1HSD17B10HPGDLMNAMAPK1

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
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed