SCHEMBL17188809

SCHEMBL17188809

COc1c(CN)cccc1-n1nnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.48
▸ TSHR P16473 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ F12 P00748 3/20 0.40
▸ MGAM O43451 2/20 0.40
▸ AMY1A P0DUB6 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SI P14410 2/20 0.40
▸ MGAM2 Q2M2H8 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ SLC9A1 P19634 2/20 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
SCHEMBL12204268 0.79 KCNMA1 (0.51) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL13093779 0.75 KCNMA1 (0.55) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL2095767 0.74 KDM4E (0.59) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL2089555 0.73 KCNMA1 (0.50) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL25862494 0.72 KCNMA1 (0.64) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL18599169 0.72 KCNMA1 (0.55) KCNMA1TSHRNPSR1SMN1; SMN2RXFP1
SCHEMBL3906689 0.71 KCNMA1 (0.63) KCNMA1TSHRNPSR1LMNASMN1; SMN2
SCHEMBL8445816 0.71 KCNMA1 (0.62) KCNMA1TSHRNPSR1LMNASMN1; SMN2
SCHEMBL21337802 0.70 KCNMA1 (0.47) KCNMA1TSHRNPSR1LMNAKDM4E
SCHEMBL1938292 0.70 KCNMA1 (0.53) KCNMA1TSHRNPSR1MGAMAMY1A

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-2932968-A1 COMPOUND FOR TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2015-10-21 — — EP disclosed
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