SCHEMBL3255154

SCHEMBL3255154

CCOC(=O)Oc1c[nH]c2c(=O)[nH]c3ccc(C=Cc4ccccc4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.39
CSF1R P07333 1/20 0.37
PADI4 Q9UM07 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
MAPK10 P53779 1/20 0.35
MAPT P10636 2/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL3255449 0.89 TTR (0.43) HPGDALDH1A1KDM4ELMNAMEN1
SCHEMBL3254619 0.86 ALOX15 (0.44) HPGDALDH1A1KDM4ELMNAMEN1
SCHEMBL3252380 0.85 CSF1R (0.43) CSF1RHPGDALDH1A1KDM4ELMNA
SCHEMBL3255436 0.84 GABRA1 (0.45) IP6K1CSF1RALDH1A1KDM4EGABRA1
SCHEMBL3255440 0.84 GABRA1 (0.45) IP6K1CSF1RALDH1A1KDM4EGABRA1
SCHEMBL3254675 0.83 ALDH1A1 (0.42) CSF1RHPGDALDH1A1KDM4ELMNA
SCHEMBL3245331 0.83 GABRA1 (0.45) CSF1RGABRA1GABRB1GABRA3GABRB2
SCHEMBL3249200 0.83 TUBB4A (0.41) CSF1RHPGDALDH1A1KDM4ELMNA
SCHEMBL3245670 0.83 CSF1R (0.37) IP6K1CSF1RHPGDALDH1A1KDM4E
SCHEMBL3245727 0.82 GABRA1 (0.50) CSF1RHPGDALDH1A1LMNAGABRA1

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed