SCHEMBL11625535

SCHEMBL11625535

O=C(NCc1cccnc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.76
▸ MAPT P10636 2/20 0.76
▸ HTT P42858 2/20 0.76
▸ LMNA P02545 2/20 0.76
▸ SORT1 Q99523 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ VNN1 O95497 1/20 0.66
▸ GAA P10253 1/20 0.66
▸ CA2 P00918 1/20 0.64
▸ NAMPT P43490 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ MMP13 P45452 1/20 0.62
▸ TRPV1 Q8NER1 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TSHR P16473 1/20 0.60

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
SCHEMBL11626058 0.87 VNN1 (0.67) ALDH1A1MAPTHTTLMNASORT1
SCHEMBL1568226 0.87 ALDH1A1 (0.72) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL13483867 0.86 LMNA (1.00) ALDH1A1MAPTHTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11627866 0.86 VNN1 (0.65) ALDH1A1MAPTHTTLMNASORT1
SCHEMBL5783915 0.86 HTT (0.71) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL16286423 0.85 MEN1 (0.65) ALDH1A1MAPTHTTLMNASORT1
SCHEMBL14082729 0.85 KDM1A (0.61) ALDH1A1MAPTHTTLMNASORT1
SCHEMBL6569317 0.84 LMNA (0.72) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL5257811 0.84 LMNA (0.72) ALDH1A1MAPTHTTLMNASMN1; SMN2
SCHEMBL11628816 0.84 NAMPT (0.67) ALDH1A1HTTLMNASORT1SMN1; SMN2

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
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 — — US claimed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 — — US disclosed
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