SCHEMBL9686849

SCHEMBL9686849

COc1c(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
EPHX2 P34913 7/20 0.38
GSK3B P49841 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IP6K1 Q92551 1/20 0.37

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
SCHEMBL9687409 0.81 LMNA (0.43) MAPTTSHRMAPK1EPHX2
SCHEMBL9687701 0.72 TRPV1 (0.51)
SCHEMBL19562231 0.65 F10 (0.55) F10MAPTALDH1A1KDM4EPOLB
SCHEMBL9164617 0.64 NPC1 (0.51) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL9026831 0.64 IDO1 (0.45)
SCHEMBL30064685 0.64 SIGMAR1 (0.56) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL17513187 0.63 VEGFA (0.59) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL9280239 0.63 RXFP1 (0.45) MAPTALDH1A1TSHR
SCHEMBL17005985 0.62 VEGFA (0.62) MAPTALDH1A1TSHRMAPK1KDM4E
SCHEMBL9278822 0.61 RAB9A (0.46) MAPTALDH1A1TSHRMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed