SCHEMBL8475477

SCHEMBL8475477

CC(C)NC(=O)c1c(C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
CNR2 P34972 2/20 0.37
PTGER4 P35408 3/20 0.36
TOP2A P11388 1/20 0.36
TSHR P16473 1/20 0.36
HDAC1 Q13547 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 1/20 0.35
CYP19A1 P11511 1/20 0.35
RORC P51449 1/20 0.35
GAA P10253 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
SCHEMBL8475130 0.92 KDM4E (0.44) KDM4EALDH1A1HTTCNR2PTGER4
Hydrochloric Acid SCHEMBL8475905 0.90 UTS2R (0.39) KDM4EALDH1A1HTTPTGER4TOP2A
Hydrochloric Acid SCHEMBL8472661 0.88 KDM4E (0.42) KDM4EALDH1A1HTTCNR2PTGER4
SCHEMBL7615052 0.87 KDM4E (0.39) KDM4EALDH1A1HTTCNR2PTGER4
SCHEMBL8472303 0.86 POLB (0.43) KDM4EALDH1A1PTGER4TOP2APOLB
SCHEMBL8475096 0.86 KDM4E (0.39) KDM4EALDH1A1HTTPOLB
SCHEMBL7613036 0.86 KDM4E (0.38) KDM4EALDH1A1HTTCNR2PTGER4
SCHEMBL8477129 0.86 KDM4E (0.43) KDM4EALDH1A1HTTCNR2TOP2A
SCHEMBL8477495 0.85 CNR2 (0.43) KDM4EALDH1A1HTTCNR2TOP2A
SCHEMBL8479051 0.84 EGFR (0.41)

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
US-5891902-A OSTEOPOROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-04-06 US disclosed
EP-0782989-A1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-09 EP disclosed