SCHEMBL7971165

SCHEMBL7971165

CCOC(=O)Cc1csc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
CFTR P13569 2/20 0.50
GAA P10253 2/20 0.49
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL3374076 0.88 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11157975 0.86 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2073208 0.86 MAPT (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4907597 0.86 LMNA (0.67) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6311629 0.85 MAPT (0.66) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2075250 0.85 ALDH1A1 (0.72) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4906987 0.84 SMN1; SMN2 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4905943 0.82 POLB (0.62) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL31578670 0.81 ALDH1A1 (0.60) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7973943 0.81 RAB9A (0.66) MEN1KMT2AMAPTALDH1A1GAA

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
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed