SCHEMBL8777569

SCHEMBL8777569

Cc1c(C(COCC(c2ccc(N(C)C)cc2)c2c(C)n(Cc3ccccc3)c3ccccc23)c2ccc(N(C)C)cc2)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G2A P14555 3/20 0.39
PLA2G10 O15496 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.38
P2RX4 Q99571 1/20 0.38
PPARG P37231 1/20 0.37
GAA P10253 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL8777784 0.88 CYP19A1 (0.42) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL8777573 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL8777654 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8777748 0.83 CNR2 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL8777611 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL8777643 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8777552 0.74 CYP19A1 (0.43) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL9659204 0.73 CYP19A1 (0.54) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL8777632 0.73 CYP19A1 (0.39) ALDH1A1MEN1KMT2AMAPTCYP19A1
SCHEMBL11224899 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTCYP19A1

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