SCHEMBL10869929

SCHEMBL10869929

CN(C)Cc1ccnc(OCC(=O)C(N)c2cc(-c3csc(N)n3)cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 2/20 0.35
▸ ATP4B P51164 2/20 0.35
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4B O94953 2/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL10868925 0.87 ALDH1A1 (0.36) ATP4AATP4BNPC1MAPTALDH1A1
SCHEMBL10871169 0.84 KDM4B (0.34) ATP4AATP4BNPC1MAPTALDH1A1
SCHEMBL10520078 0.79 LSS (0.39) ATP4AATP4BNPC1RAB9AMAPT
SCHEMBL10520147 0.73 LSS (0.41) ATP4AATP4BSMN1; SMN2MAPTALDH1A1
SCHEMBL10519036 0.72 ALDH1A1 (0.53) NPC1SMN1; SMN2MAPTALDH1A1KDM4B
SCHEMBL10868918 0.69 NOS1 (0.41) ATP4AATP4BMAPTLMNACYP3A4
SCHEMBL10521092 0.68 ALDH1A1 (0.37) ATP4AATP4BRAB9ASMN1; SMN2MAPT
SCHEMBL10517590 0.67 ALDH1A1 (0.52) NPC1RAB9AMAPTALDH1A1KDM4B
SCHEMBL10521093 0.65 LSS (0.47) ATP4AATP4BRAB9ASMN1; SMN2HPGD
SCHEMBL12495744 0.65 ATP4A (0.67) ATP4AATP4BNPC1RAB9ASMN1; 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-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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