SCHEMBL9725449

SCHEMBL9725449

CN(C)CCn1c(=O)[nH]c2ccc(Oc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
POLB P06746 1/20 0.47
MPO P05164 3/20 0.43
LTA4H P09960 1/20 0.43
CCR4 P51679 1/20 0.42
RAB9A P51151 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
GRIA2 P42262 1/20 0.39

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 SCHEMBL9725464 0.99 MAOB (0.46) MAOBPOLBMPOLTA4HCCR4
SCHEMBL9725490 0.85 HTR2A (0.49) MAOBCCR4KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9725431 0.84 HTR2A (0.48) MAOBCCR4RAB9AKDM4EALDH1A1
SCHEMBL28967652 0.79 MAOB (0.62) MAOBPOLBKMT2ABRD4GRIA2
SCHEMBL4419395 0.79 MEN1 (0.63) POLBMPORAB9AHAVCR2ALDH1A1
SCHEMBL9725403 0.78 DAO (0.53) MPOCCR4RAB9AHAVCR2DAO
Hydrochloric Acid SCHEMBL9725349 0.77 RAB9A (0.64) POLBMPORAB9AHAVCR2ALDH1A1
SCHEMBL9725419 0.77 SIGMAR1 (0.58) POLBMPORAB9AHAVCR2ALDH1A1
SCHEMBL9725422 0.77 DAO (0.51) MAOBMPOCCR4RAB9AHAVCR2
SCHEMBL9725430 0.77 MPO (0.45) MPOCCR4RAB9AHAVCR2SMN1; SMN2

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