SCHEMBL9996132

SCHEMBL9996132

CC(C)(c1ccccc1)c1ccc(Cc2ccc(C(C)(C)c3ccccc3)c(-n3nnc4ccccc43)c2)cc1-n1nnc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PTPRC P08575 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SLC9A1 P19634 5/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6528132 0.83 KCNMA1 (0.53) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL812320 0.77 SMN1; SMN2 (0.43) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL20483754 0.77 SMN1; SMN2 (0.40) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL8680885 0.76 KCNMA1 (0.48) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL9627040 0.74 KCNMA1 (0.46) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL9437945 0.72 KCNMA1 (0.57) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL812171 0.71 KCNMA1 (0.46) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL16713284 0.70 SMN1; SMN2 (0.41) KCNMA1SMN1; SMN2TSHRPTPRCPTPN1
SCHEMBL16314217 0.68 SMN1; SMN2 (0.47) KCNMA1SMN1; SMN2TSHRMAPTRAB9A
SCHEMBL14871009 0.68 KCNMA1 (0.50) KCNMA1SMN1; SMN2TSHRMAPTRAB9A

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-20110298143-A1 COPOLYCARBONATE AND OPTICAL LENS TEIJIN CHEMICALS LTD. (JP) 2011-12-08 — — US disclosed
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