SCHEMBL9330752

SCHEMBL9330752

O=C1CCCCC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL31406400 0.89 TDP1 (0.53) LMNAMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL28549832 0.81 MAPT (0.46) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL28557786 0.80 ALDH1A1 (0.47) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL31730010 0.79 LMNA (0.48) LMNAMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL31748048 0.78 SMN1; SMN2 (0.55) LMNAMAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL346691 0.78 LMNA (0.59) LMNAMAPTTDP1ALDH1A1KMT2A
SCHEMBL1138365 0.75 KDM4E (0.47) SMN1; SMN2ALDH1A1KMT2ATSHRMEN1
SCHEMBL11060295 0.75 CYP19A1 (0.44) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28412030 0.75 POLB (0.47) LMNAALDH1A1KMT2ATSHRMEN1
SCHEMBL28408881 0.75 HDAC4 (0.42)

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
EP-0321273-B1 Thioformamide derivatives MAY & BAKER LTD (GB) 1994-04-20 EP disclosed
US-5185375-A For treating disorders of smooth muscle contraction, including respiratory, gastrointestinal, urogential; topical for alopecia MAY & BAKER LIMITED (GB) 1993-02-09 US disclosed
EP-0321273-A2 Thioformamide derivatives RHONE POULENC RORER LIMITED (GB) 1989-06-21 EP disclosed