SCHEMBL11738582

SCHEMBL11738582

CCOC(=O)CCC(=O)c1ccc(N)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.41
▸ CTNNB1 P35222 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CA7 P43166 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
SCHEMBL6505055 0.87 LMNA (0.44) STING1MAPTALDH1A1HPGDKMT2A
SCHEMBL8922532 0.83 LMNA (0.41) STING1MAPTALDH1A1HPGDKMT2A
SCHEMBL3523526 0.80 LMNA (0.64) ALDH1A1HPGDLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3626529 0.79 LMNA (0.62) ALDH1A1HPGDLMNACYP1A2CYP3A4
SCHEMBL6495442 0.79 LMNA (0.54) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL10456907 0.79 KMT2A (0.68) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL6650021 0.79 LMNA (0.61) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL15058686 0.78 RXFP1 (0.51) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL30666326 0.78 RXFP1 (0.51) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL4271044 0.77 ALDH1A1 (0.51) MAPTALDH1A1HPGDKMT2ALMNA

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-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 — — US disclosed
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