SCHEMBL9523615

SCHEMBL9523615

Oc1csc2nc3ccccc3n12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
HSD17B10 Q99714 8/20 0.46
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PTP4A3 O75365 1/20 0.40
PTP4A1 Q93096 1/20 0.40
CXCR4 P61073 1/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
RCE1 Q9Y256 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 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
SCHEMBL2776006 0.79 KDM4E (0.62) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18701233 0.77 HSD17B10 (0.45) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18083271 0.76 KDM4E (0.64) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL13436033 0.75 SMN1; SMN2 (0.51) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18701121 0.75 SMN1; SMN2 (0.46) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8936671 0.72 EGFR (0.50) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL9522612 0.71 KDM4E (0.51) HSD17B10KDM4EALDH1A1HPGDNPC1
SCHEMBL18083272 0.71 IDO1 (0.52) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18083273 0.71 KDM4E (0.51) EGFRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18083389 0.71 HSD17B10 (0.62) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2

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
EP-0129409-B1 Thiazolo - and thiazinobenzimidazoles WYETH JOHN & BROTHER LTD (GB) 1993-10-27 EP disclosed