SCHEMBL9523698

SCHEMBL9523698

O=C(NCCc1ccccc1)Oc1nnc2ccccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
TAAR1 Q96RJ0 2/20 0.49
GAA P10253 2/20 0.49
GPR139 Q6DWJ6 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX1 P07099 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL9524448 0.88 NCEH1 (0.46) RAB9ANPC1EPHX1
SCHEMBL9524773 0.82 NCEH1 (0.49) ALDH1A1
SCHEMBL9524918 0.81 RAD52 (0.42) GAASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9525228 0.80 HTT (0.47) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9524931 0.79 FAAH (0.44) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9523732 0.78 RAB9A (0.55) RAB9ANPC1GAAGPR139L3MBTL1
SCHEMBL9525680 0.78 HTT (0.43) RAB9AGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9524845 0.76 PLA2G2A (0.41) RAB9AEPHX1ALDH1A1
SCHEMBL9527439 0.76 SMN1; SMN2 (0.43) RAB9ANPC1EPHX1SMN1; SMN2LMNA
SCHEMBL9525182 0.76 GABRP (0.42) TAAR1RXFP1KMT2A

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