SCHEMBL6528132

SCHEMBL6528132

CC(C)(c1ccccc1)c1ccccc1-n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ SLC9A1 P19634 4/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL9996132 0.83 KCNMA1 (0.42) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL9850894 0.81 P2RX7 (0.34) KCNMA1GRM2
SCHEMBL8680885 0.80 KCNMA1 (0.48) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL812171 0.78 KCNMA1 (0.46) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL10429585 0.78 KCNMA1 (0.55) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL9437945 0.77 KCNMA1 (0.57) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL6067788 0.77 KCNMA1 (0.53) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL812320 0.76 SMN1; SMN2 (0.43) KCNMA1SMN1; SMN2TSHRRAB9ASLC9A1
SCHEMBL5086786 0.74 KCNMA1 (0.53) KCNMA1SMN1; SMN2TSHRRAB9APOLB
SCHEMBL29384618 0.73 KDM4E (0.42) SMN1; SMN2RAB9APOLBKMT2AALDH1A1

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-1599500-A1 DISPERSING AGENTS IN NANOCOMPOSITES Polymers Australia PTY Limited (AU) 2005-11-30 — — EP disclosed
WO-2004078785-A1 DISPERSING AGENTS IN NANOCOMPOSITES POLYMERS AUSTRALIA PTY. LIMITED (AU) 2004-09-16 — — WO disclosed
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