SCHEMBL29282174

SCHEMBL29282174

Cn1c2cc(C#N)ccc2c2cc3ccccc3nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ALB P02768 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ PDE2A O00408 1/20 0.40

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
SCHEMBL8831898 0.83 MEN1 (0.54) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL9394688 0.79 KDM4E (0.59) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL29202616 0.76 KIF11 (0.58) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL18030923 0.75 L3MBTL1 (0.41) RXFP1MEN1KMT2ACA1CA2
SCHEMBL17032695 0.75 GPR3 (0.57) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL20821353 0.74 KDM4E (0.47) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL29282173 0.71 MEN1 (0.68) KDM4ERXFP1MAPTMEN1KMT2A
SCHEMBL8832725 0.71 LMNA (0.54) KDM4ERXFP1ALBMAPTMEN1
SCHEMBL8831950 0.71 LMNA (0.54) KDM4ERXFP1ALBMAPTMEN1
SCHEMBL16441272 0.71 CASP3 (0.38) MEN1KMT2ACASP3ALDH1A1ENPP3

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
CN-117987851-A Method for preparing indolo [2,3-b ] quinoline compounds by electrochemical iodine catalysis 山东第二医科大学 2024-05-07 — — CN disclosed
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