SCHEMBL9563198

SCHEMBL9563198

Cc1ccc([N+](=O)[O-])c(OCCCN2CCC(O)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.71
KDM4E B2RXH2 13/20 0.71
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.62
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL9563181 0.91 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9563233 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9563286 0.83 CYP2D6 (0.70) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9563348 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL9563362 0.80 CYP2D6 (0.74) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9563282 0.79 CYP2D6 (0.72) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9563398 0.77 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9563345 0.77 KDM4E (0.64) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL10619771 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL1339942 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AMEN1LMNA

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
EP-0529365-A1 Diarylmethoxypiperidine derivatives Kaken Pharmaceutical Co., Ltd. (JP) 1993-03-03 EP disclosed
US-5190959-A Antihistamines, antiallergens, treatment of ischemic heart disease KAKEN PHARMACEUTICAL CO. LTD. (JP) 1993-03-02 US disclosed