SCHEMBL20000841

SCHEMBL20000841

C=C(N)Nc1nc2c(s1)CCCC2(C)CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
STAT1 P42224 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL3536462 0.88 TSHR (0.33) TSHRNPC1RAB9AALOX5LMNA
SCHEMBL13314785 0.88 TSHR (0.33) TSHRNPC1RAB9AALOX5LMNA
SCHEMBL17044541 0.76 MAPT (0.44) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL3536434 0.74 TSHR (0.32) TSHRNPC1RAB9ALMNAPARP1
SCHEMBL13314783 0.74 TSHR (0.32) TSHRNPC1RAB9ALMNAPARP1
SCHEMBL13314788 0.72 TSHR (0.31) TSHRPARP1
SCHEMBL3542567 0.72 TSHR (0.31) TSHRPARP1
SCHEMBL17044543 0.71 MAPT (0.40) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL3537408 0.68 TSHR (0.35) TSHRNPC1RAB9ALMNAMAPT
SCHEMBL13314818 0.63 TSHR (0.32) TSHRNPC1RAB9ALMNAMAPT

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-2018058109-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. (US) 2018-03-29 WO disclosed