SCHEMBL5507309

SCHEMBL5507309

COC(=O)c1cccc(CSc2nc3cc(C(F)(F)F)ccc3[nH]2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.73
▸ NPC1 O15118 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ RECQL P46063 1/20 0.73
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GCGR P47871 2/20 0.46
▸ DAO P14920 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL5106058 0.83 NPC1 (0.74) RAB9ANPC1LMNASMN1; SMN2RECQL
SCHEMBL5106063 0.77 RAB9A (0.74) RAB9ANPC1LMNASMN1; SMN2RECQL
SCHEMBL5121659 0.75 PTGDR2 (0.75) MAPTPTGDR2DRD2TBXA2R
SCHEMBL1063187 0.73 CYP2E1 (0.68) RAB9ANPC1LMNASMN1; SMN2RECQL
SCHEMBL11119849 0.73 KMT2A (0.60) RAB9ANPC1KMT2APOLBTP53
SCHEMBL17161367 0.72 HRH4 (0.47) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL5113091 0.72 PTGDR2 (0.51) RAB9ANPC1LMNASMN1; SMN2RECQL
SCHEMBL1061025 0.72 RAB9A (0.77) RAB9ANPC1LMNASMN1; SMN2RECQL
SCHEMBL9288431 0.72 SMN1; SMN2 (0.55) RAB9ANPC1LMNASMN1; SMN2MEN1
SCHEMBL32688027 0.71 MEN1 (0.66) RAB9ANPC1LMNASMN1; SMN2RECQL

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
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 — — EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 — — WO disclosed
Send feedback