SCHEMBL9646995

SCHEMBL9646995

CC1(C)CN(c2ccccc2)NC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
G6PD P11413 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 9/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL271530 0.79 G6PD (0.55) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL7975058 0.76 G6PD (0.56) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL9849787 0.73 G6PD (0.64) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL9007793 0.73 G6PD (0.50) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL27913504 0.73 AR (0.51) GAAMAPTSMN1; SMN2
SCHEMBL17548921 0.72 G6PD (0.63) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL271985 0.72 G6PD (0.67) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6930692 0.71 G6PD (0.51) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL5177925 0.71 G6PD (0.51) G6PDGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8372106 0.71 G6PD (0.51) G6PDGAAALDH1A1MAPTSMN1; 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-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed