SCHEMBL28523854

SCHEMBL28523854

CCCCCSc1ncc(C(=O)NO)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ SMPD1 P17405 7/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM6B O15054 2/20 0.41
▸ KDM4A O75164 2/20 0.41
▸ KDM4D Q6B0I6 2/20 0.41
▸ KDM3B Q7LBC6 2/20 0.41
▸ HIF1AN Q9NWT6 2/20 0.41
▸ KDM5B Q9UGL1 2/20 0.41
▸ KDM2A Q9Y2K7 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28511099 0.83 KDM6B (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28526164 0.78 RAB9A (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28590599 0.74 GAA (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1014096 0.70 KDM4E (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL26449578 0.70 KDM4E (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28522378 0.70 PPARG (0.56) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL22078924 0.70 HDAC1 (0.45) HDAC1HDAC6SMPD1
SCHEMBL7049219 0.69 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL26449577 0.69 MAPT (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11334284 0.68 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPK1

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
CN-106279044-B Pyrimidine hydroxamic acid derivative and preparation method and application thereof 厦门市博瑞来医药科技有限公司 2021-02-19 — — CN disclosed
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