SCHEMBL31278436

SCHEMBL31278436

CCCCCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.56
▸ LMNA P02545 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31278057 0.83 HIF1A (0.57) PLK1LMNAPKMALOX15ALDH1A1
Hydrochloric Acid SCHEMBL31278432 0.81 TSHR (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31277333 0.80 MAPT (0.50) LMNAPKMALOX15ALDH1A1MAPT
Hydrochloric Acid SCHEMBL31278071 0.78 GRM4 (0.55) LMNANPSR1ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL31277879 0.74 MEN1 (0.51) LMNAPKMALOX15ALDH1A1MAPT
SCHEMBL12136748 0.74 RAB9A (0.59) PLK1NPSR1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL31277222 0.74 KMT2A (0.56) LMNAPKMNPSR1ALOX15ALDH1A1
SCHEMBL31277648 0.74 ALDH1A1 (0.63) LMNAPKMALOX15ALDH1A1MAPT
Hydrochloric Acid SCHEMBL31277305 0.72 ALDH1A1 (0.57) LMNAPKMALOX15ALDH1A1MAPT
SCHEMBL31277744 0.72 ALDH1A1 (0.57) LMNAPKMALOX15ALDH1A1MAPT

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
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 — — WO claimed
WO-2024246946-A1 NOVEL PYRIDINE CARBOXAMIDE COMPOUNDS WITH ANTI-TUBERCULAR ACTIVITY TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2024-12-05 — — WO disclosed
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