SCHEMBL8181784

SCHEMBL8181784

N=C1NC(=O)SC1=Cc1cccc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
AKR1B1 P15121 2/20 0.74
MEN1 O00255 2/20 0.74
TTR P02766 2/20 0.74
PIM1 P11309 1/20 0.58
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
NAT1 P18440 1/20 0.46
IGF1R P08069 1/20 0.46
TDP1 Q9NUW8 4/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 2/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL1248821 0.85 KMT2A (1.00) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL1248823 0.85 KMT2A (1.00) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL8183023 0.81 ALOX5 (0.48) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL8183022 0.81 ALOX5 (0.48) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL8209418 0.77 NTRK1 (0.48) KMT2AAKR1B1MEN1TTRMAPT
SCHEMBL8209417 0.77 NTRK1 (0.48) KMT2AAKR1B1MEN1TTRMAPT
SCHEMBL1247506 0.73 PIM1 (1.00) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL1247507 0.73 PIM1 (1.00) KMT2AAKR1B1MEN1TTRPIM1
SCHEMBL8187527 0.70 MEN1 (0.77) KMT2AMEN1TTRALDH1A1POLB
SCHEMBL8187530 0.70 MEN1 (0.77) KMT2AMEN1TTRALDH1A1POLB

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed