SCHEMBL9725419

SCHEMBL9725419

CN(C)CCn1c(=O)[nH]c2ccc(C(=O)c3ccccc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
B3GNT2 Q9NY97 1/20 0.50
ALDH1A1 P00352 3/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK2A1 P68400 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
MPO P05164 3/20 0.42
HTR6 P50406 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
CNR2 P34972 1/20 0.40

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 SCHEMBL9725467 0.99 SIGMAR1 (0.57) SIGMAR1B3GNT2ALDH1A1GLASMN1; SMN2
SCHEMBL4419395 0.78 MEN1 (0.63) ALDH1A1SMN1; SMN2CYP1A2POLBMPO
SCHEMBL9725449 0.77 MAOB (0.47) ALDH1A1SMN1; SMN2CYP1A2POLBMPO
SCHEMBL9725403 0.77 DAO (0.53) B3GNT2CYP1A2MPORAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725349 0.76 RAB9A (0.64) ALDH1A1SMN1; SMN2CYP1A2POLBMPO
Hydrochloric Acid SCHEMBL9725464 0.76 MAOB (0.46) ALDH1A1SMN1; SMN2CYP1A2POLBMPO
SCHEMBL9725430 0.76 MPO (0.45) B3GNT2SMN1; SMN2CYP1A2MPORAB9A
SCHEMBL9725422 0.76 DAO (0.51) MPORAB9AHAVCR2
Hydrochloric Acid SCHEMBL9725357 0.76 DAO (0.51) B3GNT2CYP1A2MPORAB9AHAVCR2
SCHEMBL9725376 0.76 DAO (0.51) ALDH1A1SMN1; SMN2CYP1A2MPOCBX7

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