SCHEMBL21183124

SCHEMBL21183124

C=C(C)c1ccccc1-n1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.59
RAB9A P51151 1/20 0.44
SLC9A1 P19634 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.40
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
MGAM O43451 2/20 0.40
AMY1A P0DUB6 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
F12 P00748 1/20 0.40
MIF P14174 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL21183127 0.84 KCNMA1 (0.59) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL19092972 0.79 KCNMA1 (0.61) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL20637702 0.78 KCNMA1 (0.55) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL27984123 0.78 KCNMA1 (0.55) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL24988440 0.77 KCNMA1 (0.45) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL15237507 0.76 KCNMA1 (0.52) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL10103354 0.76 SMN1; SMN2 (0.48) KCNMA1RAB9APOLBSMN1; SMN2TSHR
SCHEMBL25008763 0.75 SMN1; SMN2 (0.48) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL4209963 0.75 KCNMA1 (0.64) KCNMA1RAB9ASLC9A1POLBMAPK1
SCHEMBL80393 0.75 KCNMA1 (1.00) KCNMA1RAB9ASLC9A1POLBMAPK1

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-3513821-A1 MATERIAL FOR BLOOD PURIFICATION Toray Industries, Inc. (JP) 2019-07-24 EP disclosed