SCHEMBL12669932

SCHEMBL12669932

O=Cc1ccc(Oc2ccc(N=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.52
▸ PARP3 Q9Y6F1 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP2A6 P11509 2/20 0.48
▸ ALDH1A3 P47895 1/20 0.44
▸ STS P08842 1/20 0.42
▸ FURIN P09958 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH5A1 P51649 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38

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
SCHEMBL1109066 0.87 CYP2A6 (0.48) ALDH1A1KDM4ECYP2A6ALDH1A3HSD17B10
SCHEMBL8808020 0.84 ADRA2A (0.48) PARP10ALDH1A1SMN1; SMN2FURINKMT2A
SCHEMBL5050902 0.84 PARP10 (0.65) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL1663469 0.84 PARP10 (0.65) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL24628725 0.80 DRD1 (0.44) ALDH1A1KDM4ECYP2A6ALDH1A3DRD1
SCHEMBL12182786 0.78 RAB9A (0.56) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
Fluoromethane SCHEMBL28219755 0.78 ALDH1A1 (0.62) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL10620953 0.76 LTA4H (0.57) PARP10ALDH1A1HSD17B10
SCHEMBL888020 0.76 ALDH1A1 (0.59) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL97639 0.76 ALDH1A1 (0.59) PARP10PARP3ALDH1A1KDM4ELMNA

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-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
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