SCHEMBL8936671

SCHEMBL8936671

c1ccc(Cc2csc3nc4ccccc4n23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
MAOA P21397 3/20 0.44
CXCR4 P61073 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL11501075 0.75 TLR7 (0.48) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL18083271 0.73 KDM4E (0.64) EGFRSMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL2776006 0.72 KDM4E (0.62) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL9523615 0.72 EGFR (0.48) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL18701233 0.71 HSD17B10 (0.45) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL29186341 0.71 MAOA (0.48) LMNASMN1; SMN2TSHRMAOAPTPN1
SCHEMBL18083389 0.69 HSD17B10 (0.62) LMNAHTTSMN1; SMN2TSHRKDM4E
SCHEMBL13436033 0.69 SMN1; SMN2 (0.51) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL18701121 0.69 SMN1; SMN2 (0.46) EGFRLMNAHTTSMN1; SMN2TSHR
SCHEMBL18701128 0.68 KDM4E (0.53) EGFRLMNASMN1; SMN2TSHRKDM4E

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-5576432-A Process for the manufacture of dihydropyrimidines EASTMAN KODAK COMPANY (US) 1996-11-19 US disclosed