SCHEMBL30098517

SCHEMBL30098517

O=C(Nc1cccc2cccnc12)[C@H]1CNC[C@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
HIF1A Q16665 1/20 0.51
ROCK2 O75116 2/20 0.51
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL23951587 1.00 KDR (0.52) KDRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23951460 1.00 KDR (0.52) KDRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30098520 1.00 KDR (0.52) KDRMEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL23924074 0.99 KDR (0.51) KDRMEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL23924072 0.99 KDR (0.51) KDRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23951475 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2MAPTROCK2
SCHEMBL23951251 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2MAPTROCK2
SCHEMBL23951329 0.82 FABP7 (0.58) MEN1KMT2ASMN1; SMN2MAPTROCK2
SCHEMBL23951302 0.82 FABP7 (0.58) MEN1KMT2ASMN1; SMN2MAPTROCK2
SCHEMBL23951421 0.82 FABP7 (0.58) MEN1KMT2ASMN1; SMN2MAPTROCK2

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
CN-118878514-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2024-11-01 CN disclosed
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed