SCHEMBL8386776

SCHEMBL8386776

Cc1nc2ncnn2c(N2CCCCC2)c1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
PAX2 Q02962 1/20 0.41
RAB9A P51151 1/20 0.39
NPY5R Q15761 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL8386247 0.87 TSHR (0.50) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL8912330 0.86 TSHR (0.41) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL8385648 0.84 TSHR (0.43) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL5593192 0.82 PAX2 (0.43) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL976753 0.81 ALDH1A1 (0.44) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL14270924 0.81 USP2 (0.48) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL5593273 0.79 SMN1; SMN2 (0.42) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL8390421 0.78 TSHR (0.49) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL14491201 0.78 ALDH1A1 (0.46) TSHRALDH1A1NPSR1LMNAMEN1
SCHEMBL14410614 0.77 PAX2 (0.47) TSHRALDH1A1NPSR1LMNAMEN1

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