SCHEMBL10690871

SCHEMBL10690871

O=C1c2cc(Cl)c(Cl)cc2CN2C(=O)CCC12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC1 Q13547 1/20 0.31
NOTUM Q6P988 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL10377619 0.82 NOTUM (0.43) CRBNNOTUMSIGMAR1
SCHEMBL10671026 0.82 NOTUM (0.40) CRBNPARP1NOTUM
SCHEMBL10688845 0.81 CRBN (0.36) CRBN
SCHEMBL10688848 0.81 CRBN (0.36) CRBN
SCHEMBL10692994 0.76 SRD5A1 (0.41) CRBNAKR1C3AKR1C2
SCHEMBL10674343 0.76 SRD5A1 (0.40) CRBNAKR1C3AKR1C2ALDH1A1SIGMAR1
SCHEMBL10687019 0.76 CRBN (0.40) CRBNAKR1C3AKR1C2PARP1HDAC6
SCHEMBL7621632 0.74 CRBN (0.51) CRBNKDM4EALDH1A1MAPTHDAC6
SCHEMBL10377620 0.73 CRBN (0.40) CRBNPARP1KDM4EALDH1A1MAPT
SCHEMBL10669896 0.73 ACHE (0.50) CRBNPARP1KDM4EALDH1A1

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-4742061-A Benzoc[c]-1,5-naphthyridines and related compounds as memory enhancing agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-05-03 US disclosed