SCHEMBL27167495

SCHEMBL27167495

CC(C)n1nc2ccc(Br)cc2c1C#N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MPO P05164 3/20 0.36
▸ PDE4B Q07343 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ NOD2 Q9HC29 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ PRKDC P78527 1/20 0.31

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
SCHEMBL27359759 0.80 CSNK2A1 (0.40) HTTSMN1; SMN2LMNACSNK2A1PDE10A
SCHEMBL16595487 0.78 HTT (0.41) HTTSMN1; SMN2LMNAMPOPDE4B
SCHEMBL26619479 0.73 SMN1; SMN2 (0.41) HTTSMN1; SMN2LMNACSNK2A1PDE4B
SCHEMBL23218686 0.73 HTT (0.37) HTTSMN1; SMN2LMNAMPOPDE4B
SCHEMBL17839887 0.70 NLRP3 (0.39) HTTSMN1; SMN2LMNAPDE10AALDH1A1
SCHEMBL23218298 0.69 L3MBTL1 (0.47) HTTSMN1; SMN2MPOALDH1A1NPSR1
SCHEMBL16596064 0.68 RET (0.36) HTTSMN1; SMN2LMNAPDE10AMPO
SCHEMBL17459798 0.67 HTT (0.42) HTTSMN1; SMN2LMNAALDH1A1CASP3
SCHEMBL27359756 0.67 PDE10A (0.38) HTTSMN1; SMN2CSNK2A1PDE10APDE5A
SCHEMBL24014212 0.66 HTT (0.35) HTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160299-B Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2024-08-16 — — CN disclosed
EP-4335844-A1 CLASS OF XANTHINE OXIDASE INHIBITORS Jiangsu Atom Bioscience and Pharmaceutical Co., Ltd. (CN) 2024-03-13 — — EP disclosed
WO-2022233264-A1 CLASS OF XANTHINE OXIDASE INHIBITORS 江苏新元素医药科技有限公司 2022-11-10 — — WO disclosed
CN-115160299-A Xanthine oxidase inhibitor 江苏新元素医药科技有限公司 2022-10-11 — — CN disclosed
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