SCHEMBL7359228

SCHEMBL7359228

O=Cc1cc([N+](=O)[O-])ccc1OCC(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERN1 O75460 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL15331888 0.86 KMT2A (0.49) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9152090 0.84 PTGDR2 (0.51) RAB9AMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL29953474 0.84 ALDH1A1 (0.53) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2556381 0.82 SMN1; SMN2 (0.50) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL7367561 0.82 ALDH1A1 (0.55) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2561464 0.81 ALDH1A1 (0.51) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2556198 0.81 ALDH1A1 (0.46) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29956598 0.81 MAPT (0.46) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2552640 0.79 MAPT (0.48) RAB9AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2563279 0.78 SMN1; SMN2 (0.58) RAB9AMAPTALDH1A1LMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed