SCHEMBL9053681

SCHEMBL9053681

CN1C2CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)CC21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 5/20 0.48
POLB P06746 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KCNH2 Q12809 3/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

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
SCHEMBL9053657 0.89 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9053661 0.89 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9522855 0.88 KCNH2 (0.59) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10860972 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10860981 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL30626307 0.85 LMNA (0.58) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9626416 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10862601 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10366548 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7607382 0.83 TOP2A (0.53) KDM4EALDH1A1HPGDHSD17B10POLB

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
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO claimed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed