SCHEMBL11602384

SCHEMBL11602384

CC(C)CCCCCc1ccc2nc(Sc3ccc(Sc4nc5ccc(CCCCCC(C)C)cc5s4)c4c3C(=O)c3c(Sc5nc6ccc(CCCCCC(C)C)cc6s5)ccc(Sc5nc6ccc(CCCCCC(C)C)cc6s5)c3C4=O)sc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.35
▸ PPARG P37231 9/20 0.35
▸ PPARD Q03181 4/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ SENP8 Q96LD8 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ SENP6 Q9GZR1 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33

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
SCHEMBL11604954 0.81 SMN1; SMN2 (0.50) LMNAMAPTKMT2ATP53HTT
SCHEMBL11603253 0.71 PPARA (0.50) PPARALMNAMAPTKMT2ATP53
SCHEMBL11605260 0.71 KMT2A (0.58) LMNAMAPTKMT2ATP53HTT
SCHEMBL11601837 0.71 PPARA (0.45) PPARAPPARGLMNAMAPTKMT2A
SCHEMBL11605659 0.69 DYRK1A (0.43) PPARALMNAMAPTKMT2ATP53
SCHEMBL11606808 0.69 PKM (0.65) LMNAMAPTKMT2ATP53HTT
SCHEMBL11602024 0.68 ALDH1A1 (0.56) LMNAMAPTKMT2ATP53HTT
SCHEMBL11606470 0.68 SMN1; SMN2 (0.41) THRBLMNAMAPTKMT2ATP53
SCHEMBL11603794 0.66 PPARA (0.39) PPARALMNAMAPTKMT2ATP53
SCHEMBL11601529 0.64 SMN1; SMN2 (0.57) PPARAMAPTKMT2ASMN1; SMN2ALDH1A1

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-4096111-A (BENZOTHIAZOLYL-THIO)-SUBSTITUTED ANTHRAQUINONES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
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