SCHEMBL30971289

SCHEMBL30971289

COc1ccc(C)c(-c2cc(C(=O)O)cc3nn(C)cc23)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA6 P23280 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ TPMT P51580 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL30971197 0.91 SYK (0.36) GLAKMT2APOLBMAPK1GCK
SCHEMBL30971126 0.90 KMT2A (0.43) CNR2GLAKMT2APOLBGCK
SCHEMBL30971295 0.78 LMNA (0.38) LMNACA12CA1CA2CA4
SCHEMBL27388129 0.76 PKMYT1 (0.41) POLBGCK
SCHEMBL26581073 0.73 ALDH1A1 (0.40) TPMTHSD17B10POLBPKMRAB9A
SCHEMBL30971260 0.73 LMNA (0.38) LMNACA12CA1CA2CA4
SCHEMBL30971229 0.69 AR (0.38) LMNAKMT2AMAPK1RAB9A
SCHEMBL21437510 0.67 TTR (0.43) TPMTPOLBNPSR1GCK
SCHEMBL27401560 0.67 GRM2 (0.58) —
SCHEMBL1724426 0.67 KMT2A (0.50) LMNACA12CA1CA2CA7

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-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
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