SCHEMBL9369344

SCHEMBL9369344

Cc1ccc(-c2ccccc2C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.58
▸ CHRNB4 P30926 1/20 0.58
▸ CHRNA3 P32297 1/20 0.58
▸ CHRNA4 P43681 1/20 0.58
▸ PPARG P37231 1/20 0.55
▸ HPGD P15428 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ APOBEC3A P31941 1/20 0.54
▸ APOBEC3G Q9HC16 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.49
▸ SCN9A Q15858 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ RAB9A P51151 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
SCHEMBL19246212 0.80 HPGD (0.74) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL11318957 0.78 CTSD (0.58) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL11437411 0.77 ALDH1A1 (0.60) HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL6819599 0.77 MAPT (0.64) HPGDALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL8816782 0.76 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4PPARG
SCHEMBL16062756 0.76 HPGD (0.60) HPGDALDH1A1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL16062752 0.76 HPGD (0.60) HPGDALDH1A1APOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL7609032 0.75 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4PPARG
SCHEMBL8614650 0.75 KMT2A (0.58) CHRNB2CHRNB4CHRNA3CHRNA4PPARG
SCHEMBL7517695 0.74 NPC1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291969-B1 Tetrazole intermediates to antihypertensive compounds DU PONT (US) 1994-02-16 — — EP disclosed
US-4874867-A Tetrazole intermediates to antihypertensive compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-17 — — US disclosed
US-4870186-A Tetrazole intermediates to antihypertensive compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-26 — — US disclosed
US-4820843-A Tetrazole intermediates to antihypertensive compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-11 — — US disclosed
EP-0291969-A2 Tetrazole intermediates to antihypertensive compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 — — EP disclosed
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