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SCHEMBL6906544

SCHEMBL6906544

CCCCCCC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1.Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)CCCc4cccs4)sc3c2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.62
▸ MAPT P10636 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ LCK P06239 17/20 0.61
▸ NPC1 O15118 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL6058320 0.95 RAB9A (0.66) RAB9AMAPTTDP1LCKNPC1
SCHEMBL6057845 0.90 LCK (0.73) RAB9ALCKNPC1SMN1; SMN2
SCHEMBL6058019 0.89 LCK (0.74) RAB9ALCKNPC1SMN1; SMN2
SCHEMBL6057586 0.85 NPC1 (0.71) RAB9AMAPTLCKNPC1SMN1; SMN2
SCHEMBL6058273 0.84 LCK (0.67) RAB9ALCKNPC1SMN1; SMN2
SCHEMBL6057736 0.83 LCK (0.74) RAB9ALCKNPC1SMN1; SMN2
SCHEMBL6058277 0.82 LCK (0.71) LCK
SCHEMBL6058269 0.80 LCK (0.68) RAB9ALCKNPC1SMN1; SMN2
SCHEMBL6058238 0.80 LCK (0.70) RAB9ATDP1LCKNPC1
SCHEMBL6057796 0.79 LCK (0.78) LCK

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-6825355-B2 FOR THERAPY OF IMMUNOLOGIC DISORDERS SUCH AS TRANSPLANT REJECTION, RHEUMATOID ARTHRITIS. MULTIPLE SCLEROSIS, INFLAMMATORY BOWEL DISEASE, LUPUS, GRAFT VS. HOST DISEASE BRISTOL-MYERS SQUIBB CO. 2004-11-30 — — US claimed