SCHEMBL31037240

SCHEMBL31037240

CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(C#Cc3cc([N+](=O)[O-])ccc3-c3ccncc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.43
▸ MAPK14 Q16539 2/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 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
SCHEMBL31037461 0.96 MAPK14 (0.43) ACKR3MAPK14NAMPTMAPTALDH1A1
SCHEMBL31037368 0.88 MAPK14 (0.47) ACKR3MAPK14NAMPTCD274HTR1A
SCHEMBL31037320 0.86 MAPT (0.47) NAMPTMAPTALDH1A1LMNAPOLB
SCHEMBL31744280 0.82 MAPK14 (0.46) ACKR3MAPK14NAMPTCD274HTR1A
SCHEMBL31037288 0.79 MAPK14 (0.42) ACKR3MAPK14NAMPTCD274TGFBR1
SCHEMBL31037355 0.73 NAMPT (0.48) NAMPTALDH1A1CD274
SCHEMBL31037305 0.73 DRD2 (0.58) ACKR3MAPK14MAPTALDH1A1LMNA
SCHEMBL4324960 0.71 CD274 (0.58) ACKR3MAPK14MAPTALDH1A1LMNA
SCHEMBL31037477 0.71 TSHR (0.47) NAMPTMAPTALDH1A1LMNAPKM
SCHEMBL5752686 0.70 HTR1A (0.60) ACKR3MAPK14CD274HTR1A

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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