SCHEMBL3922997

SCHEMBL3922997

CCCCOC(=O)N1CCC(Cn2nnc(-c3ccc(C(c4ccc(OCc5ccccn5)cc4)C(C)(C)C)cc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL5660242 0.90 YAP1 (0.42) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL3922996 0.84 LTA4H (0.38) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL2246968 0.82 NPC1 (0.41) LMNARAB9ANPC1TP53TYK2
SCHEMBL5660237 0.81 ALOX5 (0.36) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL2245019 0.78 NPC1 (0.47) KMT2ALMNARAB9ANPC1TP53
SCHEMBL13248365 0.78 MEN1 (0.56) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL2248325 0.76 NPC1 (0.39) LMNARAB9ANPC1TP53TYK2
SCHEMBL2246935 0.76 NPC1 (0.39) LMNARAB9ANPC1TP53TYK2
SCHEMBL13248366 0.76 NPSR1 (0.45) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL2996834 0.74 ADAMTS4 (0.46) MEN1KMT2ALMNAALDH1A1RAB9A

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
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
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