SCHEMBL26070196

SCHEMBL26070196

CC(C)Oc1cc(C=O)ccc1-c1ccc(C(C)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.37
▸ SYK P43405 2/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALDH5A1 P51649 1/20 0.33
▸ ABAT P80404 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33
▸ POLB P06746 1/20 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
SCHEMBL18003590 0.92 PDE10A (0.41) PTGS2SYKAKR1C3AKR1C2ALDH1A3
SCHEMBL16399585 0.82 PDE10A (0.41) PTGS2SYKAKR1C3AKR1C2ALDH1A3
SCHEMBL18003592 0.76 ALDH1A1 (0.50) ALDH1A1MAPTPDE10AHPGDTDP1
SCHEMBL30798672 0.72 ALDH1A1 (0.40) ALDH1A3ALDH1A1MAPTPOLBKCNH2
SCHEMBL932830 0.72 ALDH1A1 (0.40) ALDH1A3ALDH1A1MAPTPOLBKCNH2
SCHEMBL18003899 0.70 SYK (0.45) PTGS2SYKPDE10AMAP4K4PIK3CA
SCHEMBL18003244 0.70 PIK3CA (0.41) PTGS2SYKALDH1A1MAPTPDE10A
SCHEMBL18003894 0.69 ALDH1A1 (0.47) ALDH1A1MAPTPDE10AHPGDTDP1
SCHEMBL18003239 0.69 SYK (0.40) PTGS2SYKALDH1A3PDE10AMAP4K4
SCHEMBL1713698 0.67 ALDH1A1 (0.57) AKR1C3ALDH1A3ALDH1A1MAPTTRIM24

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP disclosed
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