SCHEMBL8080463

SCHEMBL8080463

CC(=O)c1cc(-c2ccncc2)sc1N1CCN(C)CC1.CC(=O)c1cc(Cl)sc1N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHEK1 O14757 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6803709 0.93 PLOD2 (0.42) WDR5CDK5CDK5R1PLOD2PLOD3
SCHEMBL6799329 0.84 HRH4 (0.41) ALDH1A1RAB9AKDM4EMEN1POLB
SCHEMBL6798831 0.82 CDC7 (0.43) CHEK1ALDH1A1MEN1POLBKMT2A
SCHEMBL6799182 0.80 JUN (0.48) PLOD2PLOD3PLOD1ALDH1A1
SCHEMBL6799336 0.72 TSHR (0.41) CYP1A2CYP2C19ALDH1A1RAB9AKDM4E
SCHEMBL6804364 0.70 PRKDC (0.48) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6808781 0.68 MAPK14 (0.47) CYP1A2CYP2C19KDM4EMAPK14
SCHEMBL14598726 0.66 POLB (0.44) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL8079069 0.65 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18228362 0.63 CYP3A4 (0.54) MEN1POLBKMT2A

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-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed