SCHEMBL29673158

SCHEMBL29673158

Cc1nc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
KCNH2 Q12809 1/20 0.48
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
POLB P06746 1/20 0.38
GBA1 P04062 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 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
SCHEMBL28768664 1.00 MAPT (0.50) MAPTALDH1A1LMNAKCNH2CNR1
SCHEMBL20213112 0.86 KCNH2 (0.48) MAPTALDH1A1LMNAKCNH2CNR1
SCHEMBL29673141 0.85 KCNH2 (0.48) MAPTALDH1A1LMNAKCNH2CNR1
SCHEMBL28766422 0.85 KCNH2 (0.48) MAPTALDH1A1LMNAKCNH2CNR1
SCHEMBL29724324 0.83 MAPT (0.45) MAPTALDH1A1LMNAPOLBCYP1A2
SCHEMBL28766617 0.83 GPR119 (0.41) MAPTALDH1A1LMNAKCNH2MAPK1
SCHEMBL28766620 0.83 GPR119 (0.41) MAPTALDH1A1LMNAKCNH2MAPK1
SCHEMBL29673092 0.83 GPR119 (0.41) MAPTALDH1A1LMNAKCNH2MAPK1
SCHEMBL22720253 0.81 KCNH2 (0.42) MAPTALDH1A1LMNAKCNH2CNR1
SCHEMBL1693887 0.79 ALDH1A1 (0.44) MAPTALDH1A1LMNAKCNH2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245046-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF ANIMA BIOTECH INC. (US) 2025-11-27 WO disclosed
WO-2022127827-A1 KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-23 WO disclosed
CN-114644631-A KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof 上海维申医药有限公司 2022-06-21 CN disclosed