SCHEMBL9725555

SCHEMBL9725555

CN(C)CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
LMNA P02545 4/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 2/20 0.53
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL7741587 0.90 MAPT (0.69) MAPTLMNAKMT2AALDH1A1NPSR1
SCHEMBL117687 0.85 GAA (0.56) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL27847152 0.83 MAPT (0.58) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL7745736 0.82 ALDH1A1 (0.59) MAPTLMNAKMT2AALDH1A1NPSR1
SCHEMBL27653716 0.82 GAA (0.53) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL116789 0.82 MAPT (0.53) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL22478744 0.82 ALDH1A1 (0.50) MAPTLMNAKMT2AALDH1A1NPSR1
SCHEMBL8985656 0.81 KAT2B (0.64) MAPTKMT2AALDH1A1NPSR1GAA
SCHEMBL29064843 0.80 ALDH1A1 (0.57) MAPTLMNAKMT2AALDH1A1GAA
SCHEMBL5352344 0.80 ALDH1A1 (0.80) MAPTLMNAKMT2AALDH1A1NPSR1

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