SCHEMBL9316474

SCHEMBL9316474

O=C(O)Oc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
ALPL P05186 1/20 0.32
CA9 Q16790 1/20 0.32
ELANE P08246 2/20 0.32
GRK6 P43250 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 2/20 0.31
DHODH Q02127 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL29227279 0.89 HSD17B10 (0.47) HSD17B10LMNAGAAELANEMEN1
SCHEMBL8848542 0.81 ELANE (0.51) ELANE
SCHEMBL17303478 0.79 LMNA (0.37) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL27778336 0.78 MAPT (0.35) LMNAELANEKMT2AMAPTSMN1; SMN2
SCHEMBL2028396 0.78 ADH5 (0.32) ALPL
SCHEMBL2819906 0.77 KDM4E (0.50) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL28619404 0.76 NSD2 (0.48) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL6502581 0.76 LTA4H (0.49) TSHRDHODHCHEK2
SCHEMBL28489775 0.76 KDM4E (0.49) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL13411813 0.75 ADH5 (0.36)

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-5374643-A Aryl urea (thiourea) and cyanoguanidine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-12-20 US disclosed