SCHEMBL29349925

SCHEMBL29349925

Cc1nc(Oc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.43
▸ HTT P42858 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL22530021 1.00 PIN1 (0.51) PIN1EGLN1HTTNPSR1SMN1; SMN2
SCHEMBL18956900 0.91 MEN1 (0.48) PIN1EGLN1HTTNPSR1LMNA
SCHEMBL30072440 0.91 MEN1 (0.48) PIN1EGLN1HTTNPSR1LMNA
SCHEMBL29393061 0.88 HSPB1 (0.50) PIN1EGLN1HTTSMN1; SMN2LMNA
SCHEMBL22530734 0.88 HSPB1 (0.50) PIN1EGLN1HTTSMN1; SMN2LMNA
SCHEMBL29351920 0.86 CYP11B1 (0.45) PIN1HTTNPSR1SMN1; SMN2LMNA
SCHEMBL22530938 0.86 CYP11B1 (0.45) PIN1HTTNPSR1SMN1; SMN2LMNA
SCHEMBL29353732 0.83 SMN1; SMN2 (0.47) EGLN1HTTNPSR1SMN1; SMN2LMNA
SCHEMBL22530452 0.83 SMN1; SMN2 (0.47) EGLN1HTTNPSR1SMN1; SMN2LMNA
SCHEMBL22530730 0.80 MERTK (0.36) PIN1HTTNPSR1SMN1; SMN2LMNA

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
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