SCHEMBL26942964

SCHEMBL26942964

CCOc1ccc(/C=N/NC(=O)C23CC4CC(C2)CC(C(=O)N/N=C/c2ccc(OCC)cc2)(C4)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 1/20 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
SCHEMBL26943016 0.87 POLB (0.56) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL26942833 0.83 POLB (0.59) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL26942870 0.82 MEN1 (0.61) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL26943013 0.81 ALDH1A1 (0.53) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL20703741 0.73 KMT2A (0.64) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL14581329 0.73 SMN1; SMN2 (0.54) POLBMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL24426104 0.72 MEN1 (0.58) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL18251628 0.70 MEN1 (0.59) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL26942914 0.70 ALDH1A1 (0.90) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL26942965 0.70 MAPT (0.62) ALDH1A1POLBMEN1KMT2AKDM4E

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-2023237924-A1 DIHYDRAZIDE-DIHYDRAZONE COMPOUNDS WITH ADAMANTYL MOIETY AND A PROCESS FOR SYNTHESIS OF THE SAME PAWAR RUPA SACHIN (IN) 2023-12-14 — — WO disclosed
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