SCHEMBL20176724

SCHEMBL20176724

CCCCCc1ccc(-c2ccc(-c3c4nsnc4c(-c4ccc(-c5ccc(CCCCC)cc5)s4)c4nc(CC)c(CC)nc34)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PTPN1 P18031 1/20 0.36
▸ EIF4A1 P60842 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ RARB P10826 5/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RARA P10276 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33

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
SCHEMBL20176717 0.89 KDM4E (0.41) KDM4ERAB9APTPN1EIF4A1MAPT
SCHEMBL20176733 0.86 KDM4E (0.39) KDM4ERAB9APTPN1EIF4A1MAPT
SCHEMBL20176719 0.86 SMN1; SMN2 (0.32) PTPN1EIF4A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20176727 0.85 RAB9A (0.42) KDM4ERAB9APTPN1EIF4A1MAPT
SCHEMBL17694341 0.84 KDM4E (0.43) KDM4ERAB9APTPN1EIF4A1MAPT
SCHEMBL20176736 0.82 ALOX15B (0.38) KDM4ERAB9APTPN1EIF4A1HSD11B1
SCHEMBL20176722 0.82 RARB (0.34) RARBESR1S1PR1
SCHEMBL18217182 0.82 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2LMNA
SCHEMBL24991298 0.82 — —
SCHEMBL16546613 0.81 KDM4E (0.40) KDM4ERAB9AMAPTHSD17B10ALDH1A1

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-20180142153-A1 THIADIAZOLOQUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-24 — — US disclosed
Send feedback