SCHEMBL9525669

SCHEMBL9525669

O=C(Nc1ccccn1)Oc1nnc2ccc(F)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 8/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHODH Q02127 1/20 0.40
CHRM4 P08173 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 2/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL9525703 0.87 RAB9A (0.43) NPC1RAB9APKMGAAKMT2A
SCHEMBL9525903 0.87 KCNMA1 (0.48) NPC1RAB9ALMNAPKMGAA
SCHEMBL9523603 0.86 NPC1 (0.45) NPC1RAB9ALMNAPKMGAA
SCHEMBL9524933 0.85 NPC1 (0.48) NPC1RAB9ALMNAPKMGAA
SCHEMBL9524870 0.84 CSF1R (0.45) NPC1RAB9ADHODHGAAKMT2A
SCHEMBL9524868 0.83 RAB9A (0.46) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL9525091 0.81 RAB9A (0.41) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL9527689 0.81 NPC1 (0.46) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL9524715 0.81 MEN1 (0.43) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL9524848 0.77 MEN1 (0.47) NPC1RAB9ALMNAKMT2APOLB

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-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed