SCHEMBL9183441

SCHEMBL9183441

Nc1cc(OCc2cccc3ccccc23)ccc1Nc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ PTGER4 P35408 1/20 0.52
▸ PARP10 Q53GL7 2/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ CDC25B P30305 3/20 0.50
▸ CTSV O60911 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47

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
SCHEMBL9182668 0.84 AKR1C3 (0.62) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL8390211 0.83 CTSV (0.66) MEN1KMT2ACDC25BCTSVCTSL
SCHEMBL12149845 0.74 MEN1 (0.60) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL1375050 0.74 KMT2A (0.76) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL12149855 0.73 PARP10 (0.63) MEN1KMT2ASMN1; SMN2HPGDPARP10
SCHEMBL7911320 0.73 PARP10 (0.63) MEN1KMT2ASMN1; SMN2HPGDPARP10
SCHEMBL12149856 0.73 PARP10 (0.60) MEN1KMT2AKDM4EHPGDPARP10
SCHEMBL12151682 0.73 FDPS (0.64) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL1374597 0.72 FDPS (0.61) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL1147050 0.72 CDC25B (0.71) MEN1KMT2ALMNAKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420123-A Dibenzodiazepine endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-05-30 — — US disclosed
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