SCHEMBL9725416

SCHEMBL9725416

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.40
▸ CCR4 P51679 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ WEE1 P30291 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PGR P06401 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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 SCHEMBL9725418 0.99 RAB9A (0.41) MPOCCR4RAB9AHAVCR2PARP1
SCHEMBL9725370 0.82 DAO (0.53) MPOCCR4RAB9AHAVCR2MEN1
SCHEMBL9725470 0.81 MPO (0.45) MPOCCR4RAB9AHAVCR2MEN1
Hydrochloric Acid SCHEMBL9725468 0.81 DAO (0.51) MPOCCR4RAB9AHAVCR2MEN1
Hydrochloric Acid SCHEMBL9725446 0.80 MPO (0.44) MPOCCR4RAB9AHAVCR2MEN1
SCHEMBL9725434 0.79 ALDH1A1 (0.43) MPOCCR4RAB9APARP1MEN1
SCHEMBL19694061 0.78 MPO (0.40) MPOCCR4RAB9AHAVCR2WEE1
SCHEMBL9725445 0.78 KDM4E (0.49) MPOCCR4LMNAALDH1A1HPGD
SCHEMBL16174315 0.78 LMNA (0.51) PARP1PGRDAOLMNAMAPT
Hydrochloric Acid SCHEMBL9725433 0.78 ALDH1A1 (0.43) MPOCCR4RAB9APARP1MEN1

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
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