SCHEMBL8475130

SCHEMBL8475130

CC(C)NC(=O)c1c(C(c2ccccc2)c2ccccc2)c2ccccc2n1CCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.38
CNR2 P34972 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGER4 P35408 2/20 0.38
HDAC1 Q13547 1/20 0.38
MAPT P10636 1/20 0.38

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
Hydrochloric Acid SCHEMBL8472661 0.94 KDM4E (0.42) KDM4EALDH1A1HTTTSHRHTR6
SCHEMBL8477129 0.94 KDM4E (0.43) KDM4EALDH1A1HTTHTR6POLB
SCHEMBL8477495 0.93 CNR2 (0.43) KDM4EALDH1A1HTTHTR6POLB
Hydrochloric Acid SCHEMBL8475905 0.92 UTS2R (0.39) KDM4EALDH1A1HTTTSHRHTR6
SCHEMBL8475477 0.92 KDM4E (0.39) KDM4EALDH1A1HTTTSHRHTR6
SCHEMBL8475096 0.92 KDM4E (0.39) KDM4EALDH1A1HTTPOLB
SCHEMBL8479051 0.90 EGFR (0.41)
Hydrochloric Acid SCHEMBL8474469 0.90 ALDH1A1 (0.42) KDM4EALDH1A1HTTTSHRHTR6
SCHEMBL7615052 0.89 KDM4E (0.39) KDM4EALDH1A1HTTTSHRHTR6
Hydrochloric Acid SCHEMBL8475839 0.88 PTGER4 (0.44) KDM4EALDH1A1HTTTSHRHTR6

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