SCHEMBL5616784

SCHEMBL5616784

C=CCc1ccccc1-n1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.54
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
SLC9A1 P19634 2/20 0.39
DGAT1 O75907 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9616134 0.88 KCNMA1 (0.55) KCNMA1RAB9ANPSR1SMN1; SMN2KMT2A
SCHEMBL20323971 0.88 KCNMA1 (0.48) KCNMA1RAB9ANPSR1TSHRRXFP1
SCHEMBL3906689 0.80 KCNMA1 (0.63) KCNMA1RAB9ANPSR1TSHRRXFP1
SCHEMBL8849556 0.78 KCNMA1 (0.47) KCNMA1RAB9ANPSR1TSHRSMN1; SMN2
SCHEMBL13093779 0.77 KCNMA1 (0.55) KCNMA1RAB9ANPSR1TSHRRXFP1
SCHEMBL18599169 0.77 KCNMA1 (0.55) KCNMA1RAB9ANPSR1TSHRRXFP1
SCHEMBL18780221 0.76 KCNMA1 (0.58) KCNMA1RAB9ANPSR1TSHRSMN1; SMN2
SCHEMBL2730923 0.75 KCNMA1 (0.57) KCNMA1RAB9ANPSR1KMT2AMAPT
SCHEMBL1938292 0.75 KCNMA1 (0.53) KCNMA1RAB9ANPSR1TSHRRXFP1
SCHEMBL30049983 0.75 KCNMA1 (0.53) KCNMA1RAB9ANPSR1TSHRRXFP1

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-1859835-A2 Topical agent for dermatological use containing 4-hydroxyphenyl-alpha-D-glucopyranoside PENTAPHARM Ltd. (CH) 2007-11-28 EP claimed