SCHEMBL9400065

SCHEMBL9400065

COc1ccc(C=O)c(Oc2ccc(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 5/20 0.50
▸ MAPT P10636 7/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PAX8 Q06710 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL9400066 0.91 PDE7A (0.55) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19563634 0.82 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2961786 0.82 PDE7A (0.74) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9274565 0.82 PDE7A (0.57) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3839379 0.81 PDE7A (0.53) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19563670 0.79 ALDH1A1 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL3838372 0.79 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL10387432 0.78 PDE7A (0.71) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11743249 0.78 CYP19A1 (0.51) PDE7AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11743270 0.78 CYP19A1 (0.51) PDE7AALDH1A1LMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281590-A Administering oxazepine derivative for treatment of osteoporosis G. D. SEARLE & CO. (US) 1994-01-25 — — US disclosed
US-5180720-A Prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1993-01-19 — — US disclosed
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