SCHEMBL8910772

SCHEMBL8910772

CCCN1C(=S)C(Cc2ccc(-c3ccc(Cl)cc3)cc2)(N2CCNCC2)C(=O)Nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.37
CXCR3 P49682 1/20 0.35
HTR7 P34969 3/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MDM2 Q00987 1/20 0.31
EGFR P00533 1/20 0.31
CRBN Q96SW2 1/20 0.31
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL8910314 0.92 DRD4 (0.41) DRD4CXCR3HTR7PKMKMT2A
SCHEMBL8911392 0.91 DRD4 (0.34) DRD4CXCR3
SCHEMBL8910776 0.84 HTR7 (0.42) DRD4CXCR3HTR7KMT2AMEN1
SCHEMBL8910318 0.75 HTR7 (0.43) DRD4CXCR3HTR7KMT2AMEN1
SCHEMBL8911396 0.74 DRD4 (0.40) DRD4HTR7KMT2AKDM4EMEN1
SCHEMBL8910768 0.69 DRD4 (0.39) DRD4CXCR3KMT2AALDH1A1MEN1
SCHEMBL8910312 0.68 DRD4 (0.41) DRD4CXCR3KMT2AALDH1A1MEN1
SCHEMBL8911389 0.68 TSHR (0.36) DRD4CXCR3ALDH1A1DRD2
SCHEMBL1321517 0.63 PKM (0.55) HTR7PKMMDM2
SCHEMBL10669758 0.57 LSS (0.62) KMT2AALDH1A1KDM4EMEN1CRBN

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-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed