SCHEMBL9617064

SCHEMBL9617064

CCn1cc(C(=O)O)c(=O)c2cc(F)c3c(c21)C(=O)CC1CCCN31

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
PMP22 Q01453 1/20 0.52
DRD3 P35462 1/20 0.46
LMNA P02545 4/20 0.46
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 3/20 0.43
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9749826 0.82 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL10883769 0.81 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9749012 0.79 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9837564 0.77 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL11037930 0.77 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9866403 0.76 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL11185030 0.75 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL11185357 0.75 KDM4E (0.70) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL4370127 0.75 LMNA (0.60) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL145406 0.74 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1HPGDLMNA

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
JP-4208286-A None JP disclosed
JP-H04208286-A PYRROLO(1,2-I) (1,7)PHENANTHROLINE-2-CARBOXYLIC ACID COMPOUND AND ITS PRODUCTION TOKYO TANABE CO LTD 1992-07-29 JP disclosed