SCHEMBL31037296

SCHEMBL31037296

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(NC(=O)NCCc4cccnc4)cc3C#Cc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NAMPT P43490 4/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD2 P14416 1/20 0.38

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
SCHEMBL31037335 0.90 KEAP1 (0.44) ALKKEAP1NFE2L2LMNANAMPT
SCHEMBL31037336 0.86 NAMPT (0.42) ALKMAPTLMNATP53THRB
SCHEMBL31744278 0.86 MTOR (0.40) ALKMAPTNAMPTGPR119CCNA2
SCHEMBL31037288 0.83 MAPK14 (0.42) KEAP1NFE2L2NAMPT
SCHEMBL31744279 0.82 KEAP1 (0.44) KEAP1NFE2L2NAMPTGPR119
SCHEMBL31037302 0.81 NAMPT (0.51) MAPTLMNANAMPTSMN1; SMN2
SCHEMBL31037263 0.81 NAMPT (0.48) ALKLMNANAMPTDRD2HDAC6
SCHEMBL31037242 0.81 NPY2R (0.39) ALKKEAP1NFE2L2MAPTLMNA
SCHEMBL31744299 0.81 NAMPT (0.38) ALKMAPTLMNANAMPTMTOR
SCHEMBL31037468 0.78 LMNA (0.44) LMNANAMPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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