SCHEMBL4744537

SCHEMBL4744537

CCCc1n[nH]c(C(=O)NC)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 6/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
PLK1 P53350 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
GPX4 P36969 1/20 0.32
BRD4 O60885 1/20 0.30
BRPF1 P55201 1/20 0.30
EP300 Q09472 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL6632512 0.91 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL3830795 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL902 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTGAANPC1ALDH1A1
SCHEMBL27596057 0.83 KDM4C (0.43) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL1070 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAAALDH1A1CASP7
Methane SCHEMBL28911261 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAAALDH1A1CASP7
SCHEMBL18320597 0.77 HTT (0.41) SMN1; SMN2MAPTKMT2AMEN1HTT
SCHEMBL3960641 0.76 GLA (0.37) SMN1; SMN2MAPTHTTRAB9APLK1
SCHEMBL6446674 0.76 CYP1A2 (0.52) SMN1; SMN2KMT2AMEN1NPC1LMNA
SCHEMBL27468546 0.75 HCAR2 (0.40) SMN1; SMN2MAPTKMT2AMEN1GAA

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
WO-2008100886-A1 PREPARATION AND USE OF DEUTERATED UDENAFIL ANALOGUES AS HIGHLY SELECTIVE PDE5 MODULATORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2003053974-A1 NOVEL COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-07-03 WO disclosed
WO-2001022918-A2 METHOD OF PREPARATION OF SILDENAFIL INST FARMACEUTYCZNY (PL) 2001-04-05 WO disclosed