SCHEMBL15640909

SCHEMBL15640909

COC(=O)Nc1nc2cc(C(=O)c3c(Cc4ccccc4)cccc3C(=O)O)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 5/20 0.58
▸ BRAF P15056 5/20 0.58
▸ LMNA P02545 4/20 0.54
▸ CYP1A2 P05177 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ KDR P35968 2/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TUBB4A P04350 4/20 0.46
▸ TUBB P07437 4/20 0.46
▸ TUBA3C P0DPH7 4/20 0.46
▸ TUBA1B P68363 4/20 0.46
▸ TUBA4A P68366 4/20 0.46
▸ TUBB4B P68371 4/20 0.46
▸ TUBB3 Q13509 4/20 0.46
▸ TUBB2A Q13885 4/20 0.46

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
SCHEMBL1466448 0.86 RAF1 (0.67) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1467094 0.83 RAF1 (0.65) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1466983 0.81 RAF1 (0.86) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL20525774 0.80 RAF1 (0.86) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL30951561 0.80 LMNA (0.61) RAF1BRAFLMNACYP1A2ALDH1A1
SCHEMBL1466710 0.80 RAF1 (0.66) RAF1BRAFLMNACYP1A2ALDH1A1
Mebendazole SCHEMBL3429179 0.80 ABL1 (0.82) RAF1BRAFLMNACYP1A2ALDH1A1
Mebendazole SCHEMBL15860 0.80 ABL1 (0.82) RAF1BRAFLMNACYP1A2ALDH1A1
Mebendazole SCHEMBL29409261 0.80 ABL1 (0.82) RAF1BRAFLMNACYP1A2ALDH1A1
Mebendazole SCHEMBL21051200 0.79 ABL1 (0.80) RAF1BRAFLMNACYP1A2ALDH1A1

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
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — US claimed
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