SCHEMBL30660601

SCHEMBL30660601

CC(C)(O)c1ccc(Cn2cc(N)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KLKB1 P03952 10/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ RET P07949 1/20 0.34
▸ AR P10275 1/20 0.33

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
SCHEMBL29276698 1.00 MAPT (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29276690 0.79 SCN9A (0.36) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL15520763 0.75 MAPT (0.67) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL14699380 0.74 MEN1 (0.60) MAPTLMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL30660614 0.74 MAPT (0.50) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL30660594 0.74 HDAC3 (0.60) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL21493036 0.73 KLKB1 (0.38) MAPTLMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL30744550 0.73 KLKB1 (0.38) MAPTLMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL30697176 0.73 MAPT (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL3593783 0.72 MAPT (0.68) MAPTLMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023236960-A1 CARBOXAMIDE DERIVATIVE HAVING RSK INHIBITORY EFFECT, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 上海科恩泰生物医药科技有限公司 2023-12-14 — — WO disclosed
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