SCHEMBL4014276

SCHEMBL4014276

Cc1cccc(C(C)c2nccn2CCCC(=O)O)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ESR1 P03372 1/20 0.42
FPR2 P25090 4/20 0.38
KMT2A Q03164 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4007502 0.97 SMN1; SMN2 (0.50) SMN1; SMN2ESR1FPR2KMT2AKDM4E
SCHEMBL4009094 0.95 SMN1; SMN2 (0.49) SMN1; SMN2ESR1FPR2KMT2AKDM4E
SCHEMBL4008767 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ESR1FPR2KMT2AALDH1A1
SCHEMBL697680 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ESR1FPR2KMT2AALDH1A1
SCHEMBL698417 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ESR1FPR2KMT2AALDH1A1
SCHEMBL1573152 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ESR1FPR2KMT2AALDH1A1
SCHEMBL1573428 0.81 APAF1 (0.42) SMN1; SMN2FPR2KMT2AADRA2AADRA2B
SCHEMBL696323 0.80 SMN1; SMN2 (0.38) SMN1; SMN2FPR2KMT2AADRA2AADRA2B
SCHEMBL698793 0.80 KMT2A (0.50) KMT2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL698574 0.80 KMT2A (0.50) KMT2AADRA2AADRA2BADRA2CADRA1D

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-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed