SCHEMBL8777573

SCHEMBL8777573

COC(c1ccc(N(C)C)cc1)c1c(C)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
PLA2G2A P14555 5/20 0.41
CYP19A1 P11511 1/20 0.41
PLA2G10 O15496 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 2/20 0.39
GFER P55789 1/20 0.38
P2RX4 Q99571 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PLA2G1B P04054 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
SCHEMBL8777790 0.87 CYP19A1 (0.43) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL8777569 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTPLA2G2A
SCHEMBL8777753 0.82 CNR2 (0.42) ALDH1A1KDM4EMAPK1
SCHEMBL8777552 0.81 CYP19A1 (0.43) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL8777656 0.81 GAA (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EGFER
SCHEMBL8777632 0.80 CYP19A1 (0.39) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL10835597 0.78 TSHR (0.43) ALDH1A1KMT2AMAPTCYP19A1SMN1; SMN2
SCHEMBL10834698 0.78 CYP19A1 (0.41) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL8777527 0.77 CYP19A1 (0.42) ALDH1A1KMT2AMEN1MAPTCYP19A1
SCHEMBL8777617 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTCYP19A1

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