SCHEMBL9702980

SCHEMBL9702980

CCCCc1nnc(-c2ccc(OC)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TP53 P04637 2/20 0.55
RAB9A P51151 6/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
USP2 O75604 1/20 0.49
DCTPP1 Q9H773 1/20 0.49
KMT2A Q03164 2/20 0.48
DDX3X O00571 1/20 0.47
GLS O94925 1/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL9702907 0.92 ALDH1A1 (0.57) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL9705079 0.86 RAB9A (0.61) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058947 0.85 RAB9A (0.61) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058970 0.83 RAB9A (0.59) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058950 0.83 RAB9A (0.59) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058949 0.83 RAB9A (0.59) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058952 0.83 RAB9A (0.59) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL10058957 0.83 RAB9A (0.59) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL8742528 0.82 RAB9A (0.62) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL8742580 0.82 RAB9A (0.62) SMN1; SMN2HPGDKDM4EALDH1A1MAPT

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
US-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed