SCHEMBL8386247

SCHEMBL8386247

Cc1nc2ncnn2c(N2CCC(C)CC2)c1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
NPSR1 Q6W5P4 4/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 2/20 0.41
PAX2 Q02962 1/20 0.39
PDE2A O00408 2/20 0.39
PDE10A Q9Y233 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
SCHEMBL8390421 0.89 TSHR (0.49) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL8386776 0.87 TSHR (0.46) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL5746797 0.87 PAX2 (0.47) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL8390059 0.87 LMNA (0.45) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL4818506 0.84 TSHR (0.46) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL5593344 0.83 LMNA (0.44) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL976406 0.82 LMNA (0.47) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL3424814 0.81 PDE2A (0.46) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL5593364 0.80 LMNA (0.42) TSHRNPSR1GLALMNAALDH1A1
SCHEMBL8390256 0.80 LMNA (0.47) TSHRNPSR1GLALMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US claimed
US-5994360-A Fungicidal 5-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 1999-11-30 US disclosed