SCHEMBL11622970

SCHEMBL11622970

CN1C(C(=O)Nc2ccccc2F)C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TSHR P16473 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11624596 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL11196673 0.79 ALDH1A1 (0.61) ALDH1A1MAPTFBP1KDM4E
SCHEMBL11620809 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10583556 0.77 ALDH1A1 (0.64) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL11625707 0.77 ALDH1A1 (0.58) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL11227836 0.77 ALDH1A1 (0.53) ALDH1A1
SCHEMBL11622914 0.76 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10800024 0.76 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRPOLBNPC1
SCHEMBL11781396 0.76 ALDH1A1 (0.55) ALDH1A1TSHRPOLBGAA
SCHEMBL11623297 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29669-E CYCLIZATION OF GLYCINEAMIDES PFIZER, INC. (US) 1978-06-13 — — US disclosed
US-RE29668-E 4-OXO-1,2-BENZOTHIAZINE-3-CARBOXAMIDE, 1,1-DIOXIDES, ANTIINFLAMMATORY PFIZER INC. (US) 1978-06-13 — — US disclosed
US-3971802-A ANTIINFLAMMATORY PFIZER INC. (US) 1976-07-27 — — US disclosed
US-3954786-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1976-05-04 — — US disclosed
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