SCHEMBL15640908

SCHEMBL15640908

COC(=O)Nc1nc2cc(C(=O)C3(Cc4ccccc4)C=CC=CC3C(=O)O)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ KDR P35968 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ RAF1 P04049 5/20 0.46
▸ BRAF P15056 5/20 0.46
▸ TUBB4A P04350 4/20 0.41
▸ TUBB P07437 4/20 0.41
▸ TUBA3C P0DPH7 4/20 0.41
▸ TUBA1B P68363 4/20 0.41
▸ TUBA4A P68366 4/20 0.41
▸ TUBB4B P68371 4/20 0.41
▸ TUBB3 Q13509 4/20 0.41
▸ TUBB2A Q13885 4/20 0.41

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
SCHEMBL28582102 0.75 LMNA (0.56) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL29409261 0.74 ABL1 (0.82) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL3429179 0.74 ABL1 (0.82) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL15860 0.74 ABL1 (0.82) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL17262440 0.73 ABL1 (0.80) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL21051203 0.73 ABL1 (0.80) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL27690766 0.73 ABL1 (0.80) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL21051200 0.73 ABL1 (0.80) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL28186589 0.73 ABL1 (0.80) LMNACYP1A2ALDH1A1HIF1AKDR
Mebendazole SCHEMBL28588780 0.72 ABL1 (0.78) LMNACYP1A2ALDH1A1HIF1AKDR

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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP claimed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — US claimed
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