SCHEMBL9725470

SCHEMBL9725470

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.45
HAVCR2 Q8TDQ0 1/20 0.43
CCR4 P51679 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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 SCHEMBL9725446 0.99 MPO (0.44) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL9725430 0.89 MPO (0.45) MPOHAVCR2CCR4RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9725529 0.87 MPO (0.44) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL9725370 0.84 DAO (0.53) MPOHAVCR2CCR4RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9725468 0.83 DAO (0.51) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL9725356 0.82 CCR4 (0.43) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL2951726 0.81 RAB9A (0.48) RAB9ASMN1; SMN2TP53MAPTMEN1
Hydrochloric Acid SCHEMBL9725475 0.81 CCR4 (0.42) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL9725416 0.81 MPO (0.40) MPOHAVCR2CCR4RAB9ASMN1; SMN2
SCHEMBL9725445 0.81 KDM4E (0.49) MPOCCR4LMNAALDH1A1HPGD

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