SCHEMBL31556448

SCHEMBL31556448

C[C@@H]1CN(c2cncc(Br)n2)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PRKDC P78527 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL30729440 1.00 KMT2A (0.44) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL27092799 1.00 KMT2A (0.44) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL2724346 0.80 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL2724344 0.80 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL4550798 0.80 KMT2A (0.55) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL31015264 0.77 SMPD3 (0.39) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL2722843 0.77 ALDH1A1 (0.48) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL2722842 0.77 ALDH1A1 (0.48) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL10183489 0.77 ALDH1A1 (0.48) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL31263645 0.74 KDM4E (0.46) KMT2AALDH1A1KDM4EGAANPSR1

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-2025068354-A1 SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-04-03 — — WO disclosed
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