SCHEMBL9635033

SCHEMBL9635033

O=[N+]([O-])Sc1ccccc1CO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3G Q9HC16 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ SLC6A4 P31645 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LDHA P00338 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A2 P23975 2/20 0.33

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
SCHEMBL8009254 0.79 ALDH1A1 (0.35) APOBEC3GALDH1A1TSHRCA12SLC6A4
SCHEMBL1336721 0.79 LMNA (0.42) APOBEC3GALDH1A1TSHRMEN1KMT2A
SCHEMBL3055047 0.74 GPR35 (0.39) ALDH1A1TSHRCA12MEN1KMT2A
SCHEMBL3044512 0.73 PDE7A (0.37) APOBEC3GALDH1A1TSHRCA12SLC6A4
SCHEMBL4442278 0.72 APOBEC3G (0.73) APOBEC3GALDH1A1SLC6A4LDHASLC6A2
SCHEMBL7262305 0.72 APOBEC3G (1.00) APOBEC3GTSHRSLC6A4MEN1KMT2A
SCHEMBL11554587 0.72 SIRT1 (0.53) ALDH1A1TSHRSLC6A4MEN1KMT2A
SCHEMBL68381 0.69 ALDH1A1 (0.70) ALDH1A1TSHRCA12MEN1KMT2A
SCHEMBL29699944 0.69 ALDH1A1 (0.70) ALDH1A1TSHRCA12MEN1KMT2A
SCHEMBL5833149 0.69 PDE7A (0.56) APOBEC3GALDH1A1CA12MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175167-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 — — US disclosed
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