SCHEMBL8623554

SCHEMBL8623554

CC(C)(C)C(=O)OCc1nccnc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.45
▸ CHRM4 P08173 3/20 0.45
▸ CHRM5 P08912 3/20 0.45
▸ CHRM1 P11229 3/20 0.45
▸ CHRM3 P20309 3/20 0.45
▸ NPC1 O15118 4/20 0.42
▸ KMT2A Q03164 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11399746 0.80 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11406583 0.79 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31245536 0.76 BACE1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21957976 0.76 BACE1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30575331 0.71 KDM4E (0.41) NPC1KMT2ACYP1A2L3MBTL1KDM4E
SCHEMBL13806634 0.71 KDM4E (0.41) NPC1KMT2ACYP1A2L3MBTL1KDM4E
SCHEMBL31245549 0.69 MAPT (0.43) NPC1KMT2ACYP1A2L3MBTL1KDM4E
SCHEMBL21958048 0.69 MAPT (0.43) NPC1KMT2ACYP1A2L3MBTL1KDM4E
SCHEMBL30575324 0.69 LPL (0.34) CHRM2CHRM1CHRM3NPC1KMT2A
SCHEMBL11397020 0.69 KDM4E (0.43) NPC1KMT2ACYP1A2CYP2C9CYP2C19

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-0638559-B1 PYRAZINE DERIVATIVE KOEI CHEMICAL CO (JP) 1998-06-17 — — EP claimed
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