SCHEMBL8068429

SCHEMBL8068429

COc1ccc(-n2nc(C(F)F)cc2-c2ccccc2SC)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 7/20 0.52
ALDH1A1 P00352 2/20 0.41
ABCB11 O95342 1/20 0.41
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL7464649 0.84 PTGS2 (0.53) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL7878967 0.81 PTGS2 (0.61) PTGS2PTGS1ALDH1A1ABCB11TUBB4A
SCHEMBL8989537 0.74 PTGS2 (0.67) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL6728766 0.74 PTGS2 (0.55) PTGS2PTGS1ALDH1A1ABCB11MAPT
SCHEMBL6737152 0.73 PTGS2 (0.62) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL7867755 0.73 PTGS2 (0.73) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL8199019 0.71 PTGS2 (0.62) PTGS2PTGS1ALDH1A1ABCB11TUBB4A
SCHEMBL6729441 0.71 PTGS2 (0.62) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL6738596 0.71 PTGS2 (0.69) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL6823755 0.70 PTGS2 (0.66) PTGS2PTGS1ALDH1A1ABCB11

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-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed