SCHEMBL29479526

SCHEMBL29479526

O=C(c1cccnc1)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLOD2 O00469 2/20 0.62
▸ PLOD3 O60568 1/20 0.62
▸ PLOD1 Q02809 1/20 0.62
▸ LMNA P02545 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP11B1 P15538 1/20 0.59
▸ CYP11B2 P19099 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ APP P05067 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ HCAR3 P49019 1/20 0.59
▸ HCAR2 Q8TDS4 1/20 0.59
▸ CES1 P23141 1/20 0.57
▸ F7 P08709 1/20 0.57
▸ F3 P13726 1/20 0.57
▸ SARM1 Q6SZW1 1/20 0.57
▸ SIRT2 Q8IXJ6 1/20 0.57
▸ SIRT6 Q8N6T7 1/20 0.57

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
SCHEMBL5332528 1.00 PLOD2 (0.62) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL2424897 0.85 LMNA (0.65) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL11161284 0.81 ROCK2 (0.66) LMNACYP3A4ALDH1A1GAAHIF1A
Niacin SCHEMBL4718565 0.81 ALDH1A1 (0.78) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL31703901 0.80 LMNA (0.69) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL29704465 0.80 LMNA (0.59) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL800635 0.80 LMNA (0.69) PLOD2PLOD3PLOD1LMNACYP1A2
SCHEMBL27500194 0.79 LMNA (0.62) PLOD2PLOD3PLOD1LMNACYP1A2
Niacin SCHEMBL28362910 0.78 ALDH1A1 (0.72) PLOD2PLOD3PLOD1LMNACYP1A2
Niacinamide SCHEMBL30011021 0.78 F7 (0.76) PLOD2PLOD3PLOD1LMNACYP1A2

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
EP-4225442-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Unichem Laboratories Ltd (IN) 2023-08-16 — — EP disclosed
WO-2022074572-A1 SUBSTITUTED TRICYCLIC COMPOUNDS UNICHEM LABORATORIES LTD (IN) 2022-04-14 — — WO disclosed
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