SCHEMBL20028752

SCHEMBL20028752

CNNc1nc2ccccc2n1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 8/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 3/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL7850067 0.84 RAB9A (0.62) RAB9AMAPTHTTALDH1A1TSHR
Hydrochloric Acid SCHEMBL28428173 0.82 RAB9A (0.61) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL5928389 0.78 MAPT (0.62) RAB9AMAPTHTTALDH1A1TSHR
Hydrochloric Acid SCHEMBL30034113 0.77 MAPT (0.60) RAB9AMAPTHTTALDH1A1TSHR
Hydrochloric Acid SCHEMBL28398239 0.77 MAPT (0.60) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL7996781 0.76 LMNA (0.57) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL12136194 0.76 RAB9A (0.68) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL12135849 0.76 SMN1; SMN2 (0.58) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL6204453 0.75 RAB9A (0.62) RAB9AMAPTHTTALDH1A1TSHR
SCHEMBL9697949 0.75 LMNA (0.54) RAB9AMAPTHTTALDH1A1TSHR

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
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed