SCHEMBL31415538

SCHEMBL31415538

C[C@@H]1C[C@H]1c1ccc(N)cc1-c1ccn(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.45
▸ KMT2A Q03164 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IRAK4 Q9NWZ3 5/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ BMPR1A P36894 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ IRAK1 P51617 5/20 0.31
▸ CA12 O43570 1/20 0.31

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
SCHEMBL31415520 0.82 KEAP1 (0.47) KEAP1KMT2AJMJD6KDM4ENSD2
SCHEMBL20747480 0.79 KMT2A (0.44) KEAP1KMT2AJMJD6KDM4EIRAK4
Hydrochloric Acid SCHEMBL31415289 0.79 KEAP1 (0.44) KEAP1KMT2AJMJD6KDM4ENSD2
SCHEMBL31415329 0.73 KEAP1 (0.55) KEAP1KMT2AKDM4ENSD2ALDH1A1
SCHEMBL31415382 0.72 KEAP1 (0.53) KEAP1KMT2AJMJD6KDM4ENSD2
SCHEMBL25378037 0.70 KMT2A (0.46) KEAP1KMT2AIRAK4IRAK1
SCHEMBL30509960 0.70 KMT2A (0.46) KEAP1KMT2AIRAK4IRAK1
SCHEMBL31415414 0.70 KEAP1 (0.50) KEAP1KMT2AJMJD6KDM4ENSD2
SCHEMBL31415565 0.70 KEAP1 (0.46) KEAP1KMT2AKDM4ENSD2ALDH1A1
SCHEMBL31241561 0.69 KEAP1 (0.53) KEAP1KMT2AJMJD6KDM4ENSD2

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 — — WO disclosed
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