SCHEMBL9525813

SCHEMBL9525813

COc1ccc2nnc(C(=O)Nc3ccc(F)cc3)c(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
DHODH Q02127 1/20 0.47
POLB P06746 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NQO2 P16083 1/20 0.44
SCD O00767 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
PLAU P00749 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9524233 0.88 DHODH (0.54) MEN1KMT2ADHODHPOLBNPC1
SCHEMBL9524171 0.88 MAPT (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL9524724 0.87 MAPT (0.54) MEN1KMT2ADHODHPOLBNPC1
SCHEMBL9524278 0.86 SNCA (0.47) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL9524636 0.84 MAPT (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL9525125 0.82 MAPT (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9524408 0.82 P2RX1 (0.53) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL9524693 0.81 FADS1 (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9525671 0.81 RAB9A (0.57) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL9527461 0.81 ADORA3 (0.61) MEN1KMT2ANPC1RAB9AMAPT

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-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed