SCHEMBL26943016

SCHEMBL26943016

COc1ccc(/C=N/NC(=O)C23CC4CC(C2)CC(C(=O)N/N=C/c2ccc(OC)cc2)(C4)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.56
▸ GAA P10253 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ P2RX7 Q99572 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MIF P14174 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAOA P21397 1/20 0.48

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
SCHEMBL26942964 0.87 CNR2 (0.54) POLBCYP1A2ALDH1A1HPGDKMT2A
SCHEMBL26942833 0.86 POLB (0.59) POLBGAAALDH1A1HPGDKMT2A
SCHEMBL26942870 0.85 MEN1 (0.61) POLBGAAALDH1A1HPGDKMT2A
SCHEMBL26943013 0.84 ALDH1A1 (0.53) POLBCYP1A2ALDH1A1HPGDKMT2A
SCHEMBL26942914 0.78 ALDH1A1 (0.90) POLBGAAALDH1A1HPGDKMT2A
SCHEMBL14581329 0.76 SMN1; SMN2 (0.54) POLBGAAKMT2ASMN1; SMN2LMNA
SCHEMBL19449690 0.74 CYP1A2 (0.78) POLBGAACYP1A2ALDH1A1KMT2A
SCHEMBL17560844 0.74 CYP1A2 (0.78) POLBGAACYP1A2ALDH1A1KMT2A
SCHEMBL5354705 0.73 CNR2 (0.56) GAAALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL29659678 0.72 CYP1A2 (0.76) POLBGAACYP1A2ALDH1A1KMT2A

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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