SCHEMBL8932476

SCHEMBL8932476

COc1ccc(CSC2CNCNC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
IDO1 P14902 3/20 0.42
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9480021 0.84 REN (0.44) APPIDO1CRBNALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9414486 0.83 TDP1 (0.47) APPIDO1CRBNALDH1A1SMN1; SMN2
SCHEMBL8932409 0.81 APP (0.42) APPIDO1CRBNALDH1A1TP53
SCHEMBL8932546 0.81 CRBN (0.44) APPIDO1CRBN
SCHEMBL8307284 0.81 TDP1 (0.50) APPIDO1CRBNALDH1A1SMN1; SMN2
SCHEMBL7833142 0.77 KMT2A (0.55) APPIDO1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL9202656 0.76 TSHR (0.46) APPIDO1CRBNALDH1A1TSHR
SCHEMBL12012244 0.75 SLC6A2 (0.42) APPIDO1CRBNALDH1A1TP53
SCHEMBL8932477 0.75 MAOB (0.40) APPIDO1CRBNALDH1A1
SCHEMBL8932411 0.75 BCHE (0.39) APPIDO1CRBNTSHRSMN1; 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
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed