SCHEMBL30447496

SCHEMBL30447496

CC(C)(C)n1nc(Br)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPT P10636 6/20 0.44
▸ CNR2 P34972 5/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ELANE P08246 3/20 0.39
▸ F2 P00734 2/20 0.39
▸ PLAU P00749 2/20 0.39
▸ CTRB1 P17538 2/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL173302 0.81 L3MBTL1 (0.47) L3MBTL1MAPTCNR2CNR1ACHE
SCHEMBL7115402 0.81 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CNR1ACHE
SCHEMBL30628634 0.81 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CNR1ACHE
SCHEMBL26630273 0.77 MAPT (0.51) L3MBTL1MAPTCNR2CNR1ACHE
SCHEMBL26630291 0.77 MEN1 (0.51) L3MBTL1MAPTCNR2CNR1ACHE
SCHEMBL29508910 0.76 ELANE (0.47) L3MBTL1MAPTCNR2MEN1KMT2A
SCHEMBL29508852 0.76 ELANE (0.47) L3MBTL1MAPTCNR2MEN1KMT2A
SCHEMBL1457094 0.76 ELANE (0.47) L3MBTL1MAPTCNR2MEN1KMT2A
SCHEMBL2871012 0.74 ELANE (0.50) L3MBTL1MAPTCNR2MEN1KMT2A
SCHEMBL21093059 0.73 MAPT (0.57) L3MBTL1MAPTMEN1KMT2ALMNA

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-4463150-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME Shenzhen Ionova Life Science Co., Ltd. (CN) 2024-11-20 — — EP disclosed
WO-2023137406-A1 HETEROARYL COMPOUNDS AS HPK1 INHIBITORS AND METHODS OF USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2023-07-20 — — WO disclosed
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