SCHEMBL9725486

SCHEMBL9725486

CN(C)CCn1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNMA1 Q12791 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCB11 O95342 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44

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 SCHEMBL9725510 0.99 MAPT (0.47) MAPTMEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL9725478 0.90 KDM4E (0.52) HSP90AA1ABCB11HTR1AADRA2AADORA3
Hydrochloric Acid SCHEMBL9725560 0.88 KDM4E (0.51) HSP90AA1ABCB11HTR1AADRA2AADORA3
SCHEMBL7191032 0.83 RORA (0.50) MAPTMEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL891631 0.82 HSP90AA1 (0.51) MAPTMEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL9725370 0.81 DAO (0.53) MAPTMEN1CYP1A2CYP3A4TSHR
SCHEMBL1858719 0.81 MAPT (0.47) MAPTMEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL11506335 0.80 MAPT (0.52) MAPTMEN1CYP1A2HSP90AA1CYP3A4
SCHEMBL11508567 0.80 MAPT (0.49) MAPTMEN1CYP1A2HSP90AA1CYP3A4
Hydrochloric Acid SCHEMBL9725468 0.80 DAO (0.51) MAPTMEN1CYP1A2CYP3A4TSHR

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-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed