SCHEMBL9524899

SCHEMBL9524899

O=C(Nc1cccc(C(F)(F)F)c1)Oc1nnc2ccccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSP90AA1 P07900 1/20 0.50
BRAF P15056 3/20 0.49
MAPK14 Q16539 3/20 0.49
KDR P35968 2/20 0.49
TNNI3K Q59H18 2/20 0.49
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
P2RX1 P51575 1/20 0.46
GAA P10253 2/20 0.46
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL9525178 0.85 NPC1 (0.43) MAPTKMT2AMEN1KDM4EHTT
SCHEMBL9525680 0.83 HTT (0.43) MAPTKMT2AL3MBTL1KDM4EHSP90AA1
SCHEMBL9523908 0.83 HPGD (0.46) MAPTKMT2AMEN1NPSR1HTT
SCHEMBL9527700 0.83 DDX3X (0.44) MAPTKDM4EALDH1A1
SCHEMBL9527660 0.83 ALDH1A1 (0.50) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL9525725 0.83 KMT2A (0.49) KMT2AMEN1KDM4EKDRRAB9A
SCHEMBL9525121 0.81 FLT3 (0.49) KMT2AMEN1KDM4ERAB9AALDH1A1
SCHEMBL9524357 0.81 KMT2A (0.56) MAPTKMT2AMEN1L3MBTL1KDR
SCHEMBL9524669 0.79 KMT2A (0.50) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL9524999 0.79 RAB9A (0.44) MAPTKMT2AMEN1KDM4ERAB9A

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