SCHEMBL3244473

SCHEMBL3244473

CN(C)/C=C/C(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 4/20 0.39
HSP90AA1 P07900 3/20 0.39
RAB9A P51151 4/20 0.38
CYP1A2 P05177 3/20 0.38
HPGD P15428 3/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX12 P18054 1/20 0.38
ALDH1A1 P00352 9/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3244481 1.00 MAPT (0.39) MAPTLMNARECQLPOLBHSP90AA1
SCHEMBL3249941 0.86 ALDH1A1 (0.44) MAPTLMNAPOLBRAB9ACYP1A2
SCHEMBL3249936 0.86 ALDH1A1 (0.44) MAPTLMNAPOLBRAB9ACYP1A2
SCHEMBL4165294 0.83 APEX1 (0.39) MAPTLMNARECQLPOLBHSP90AA1
SCHEMBL3245050 0.82 PARP1 (0.44) CYP1A2HPGDALDH1A1HSD17B10KMT2A
SCHEMBL4715257 0.79 MAPT (0.43) MAPTLMNARECQLPOLBHSP90AA1
SCHEMBL3248408 0.79 KDM4E (0.42) MAPTLMNARAB9ACYP1A2HPGD
SCHEMBL3245536 0.79 MAPT (0.39) MAPTLMNARECQLPOLBHSP90AA1
SCHEMBL3251484 0.78 HSD17B10 (0.42) POLBCYP1A2HPGDCYP2C19ALDH1A1
SCHEMBL3244728 0.78 KDM4E (0.41) LMNAPOLBRAB9ACYP1A2HPGD

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