SCHEMBL27716593

SCHEMBL27716593

Nc1cc(N=S(=O)=O)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30

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
SCHEMBL12845562 0.77 ALDH1A1 (0.34) LMNAMAPTCYP2C9CYP2C19ESR2
SCHEMBL27716615 0.76 TDP1 (0.45) LMNAMAPTTDP1ALDH1A1
SCHEMBL27716582 0.76 TSHR (0.45) LMNAMAPTTDP1ALDH1A1
SCHEMBL3764475 0.68 CA12 (0.42) MAPTCYP2C9CYP2C19TDP1ALDH1A1
SCHEMBL5153906 0.68 LMNA (0.33) LMNAMAPTCYP2C9CYP2C19ESR2
SCHEMBL10494612 0.68 KMT2A (0.54) LMNAMAPTCYP2C9CYP2C19HSD17B10
SCHEMBL10494614 0.68 KMT2A (0.54) LMNAMAPTCYP2C9CYP2C19HSD17B10
SCHEMBL8990606 0.64 LMNA (0.42) LMNAMAPTCYP2C19ESR2HSD17B10
SCHEMBL11477824 0.64 CES2 (0.35) —
SCHEMBL27576407 0.64 PMM2 (0.41) LMNAMAPTHSD17B10TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348203-B Inhibit the composition and method of JAK approach 里格尔药品股份有限公司 2018-09-18 — — CN disclosed
CN-105348203-A Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS INC 2016-02-24 — — CN disclosed
CN-101282945-A Compositions and methods for inhibiting the JAK pathway RIGEL PHARMACEUTICALS INC (US) 2008-10-08 — — CN disclosed
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