SCHEMBL30004124

SCHEMBL30004124

CC(C)(C)c1ccc(N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ACHE P22303 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 4/20 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
SCHEMBL2367892 1.00 KDM4E (0.46) KDM4ERAB9APOLBCA12CA1
Carbamic Acid SCHEMBL1982476 0.88 RAB9A (0.39) KDM4ERAB9APOLBCA12CA1
SCHEMBL21675704 0.82 KDM4E (0.40) KDM4ERAB9APOLBCA12CA1
SCHEMBL13653889 0.82 KDM4E (0.40) KDM4ERAB9APOLBCA12CA1
SCHEMBL17403411 0.79 RAB9A (0.42) KDM4ERAB9APOLBCA12CA1
SCHEMBL25921513 0.79 KDM4E (0.38) KDM4ERAB9APOLBCA12CA1
SCHEMBL17653958 0.79 HSD17B10 (0.43) KDM4ERAB9APOLBCA12CA1
SCHEMBL15651900 0.77 KDM4E (0.37) KDM4ERAB9APOLBCA12CA1
SCHEMBL358552 0.77 CHRNA7 (0.51) KDM4ERAB9APOLBCA12CA1
SCHEMBL114542 0.76 TRPV4 (0.58) KDM4EPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 EP disclosed
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 WO disclosed