SCHEMBL29352007

SCHEMBL29352007

Cc1cc(Oc2ccc([N+](=O)[O-])c(C)n2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
MERTK Q12866 1/20 0.36
CYP1A2 P05177 1/20 0.35
TXNRD1 Q16881 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL22529904 1.00 HAO1 (0.46) HAO1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL29353732 0.83 SMN1; SMN2 (0.47) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL22530452 0.83 SMN1; SMN2 (0.47) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL22530819 0.81 S1PR1 (0.41) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL29349939 0.81 S1PR1 (0.41) ALDH1A1HTTLMNASMN1; SMN2HPGD
SCHEMBL18956900 0.77 MEN1 (0.48) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL30072440 0.77 MEN1 (0.48) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL4596178 0.77 HAO1 (0.49) HAO1ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL22529936 0.76 HSPB1 (0.59) HAO1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL29351818 0.76 HSPB1 (0.59) HAO1ALDH1A1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 CN disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 CN disclosed