SCHEMBL21597266

SCHEMBL21597266

Clc1ccc(NC2=NN=C[N]2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.40
▸ GRM4 Q14833 1/20 0.38
▸ KCNQ3 O43525 13/20 0.37
▸ KCNQ2 O43526 13/20 0.37
▸ KCNQ1 P51787 10/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ KCNE1 P15382 9/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ GRM5 P41594 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21597533 0.76 ABL1 (0.42) —
SCHEMBL21597286 0.76 KMT2A (0.44) PIK3CARAB9A
SCHEMBL21597605 0.70 ADRA2A (0.42) RAB9A
SCHEMBL30423290 0.68 KCNQ3 (0.54) TNFGRM4KCNQ3KCNQ2KCNQ1
SCHEMBL21597512 0.68 RAD52 (0.42) —
SCHEMBL21597576 0.67 — —
SCHEMBL15831512 0.67 GRM4 (0.46) TNFGRM4KCNQ3KCNQ2KCNQ1
SCHEMBL11609233 0.66 — —
SCHEMBL22862348 0.65 — —
SCHEMBL12781201 0.65 — —

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
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP claimed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO claimed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO disclosed
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