SCHEMBL22258556

SCHEMBL22258556

C=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]cc1NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.41
▸ STAT6 P42226 2/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KIT P10721 2/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ DGAT1 O75907 4/20 0.36
▸ LTA4H P09960 1/20 0.36

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
SCHEMBL22258557 0.99 STAT6 (0.41) TRPV1STAT6NTRK1ALDH1A1MEN1
SCHEMBL22235826 0.88 WNT1 (0.46) TRPV1STAT6ALDH1A1CYP1A2KCNQ3
SCHEMBL22236264 0.87 WNT1 (0.46) TRPV1STAT6ALDH1A1CYP1A2KCNQ3
SCHEMBL22258547 0.85 LTA4H (0.39) STAT6ALDH1A1CLK2CLK3DYRK1A
SCHEMBL22258230 0.79 NPC1 (0.40) TRPV1ALDH1A1KCNQ3KCNQ2WNT1
SCHEMBL22258478 0.78 NPC1 (0.41) TRPV1ALDH1A1KCNQ3KCNQ2WNT1
SCHEMBL22258247 0.77 CDK5 (0.49) AURKARPS6KB1AURKB
SCHEMBL22258481 0.77 EGFR (0.55) STAT6MEN1KMT2AMAPK1RAB9A
SCHEMBL22258549 0.77 LTA4H (0.47) MEN1HTTKMT2ALTA4HKDM4E
SCHEMBL22279080 0.76 ALDH1A1 (0.53) STAT6NTRK1ALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
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