SCHEMBL28739907

SCHEMBL28739907

COc1cc(C#N)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
ALOX15 P16050 1/20 0.54
GRM5 P41594 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC2A1 P11166 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46

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
SCHEMBL5679983 0.83 ALOX15 (0.58) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL21883415 0.77 CYP1A2 (0.58) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL3295785 0.75 ALDH1A1 (0.52) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL28010962 0.75 LMNA (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL266444 0.75 LMNA (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL29877118 0.75 LMNA (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL30065410 0.75 HPGD (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL396614 0.75 HPGD (0.64) SMN1; SMN2LMNAHPGDKDM4EALDH1A1
SCHEMBL24224674 0.75 HDAC8 (0.62) LMNAALDH1A1ALOX15TUBB4ATUBB
SCHEMBL24224677 0.75 LMNA (0.52) SMN1; SMN2LMNAKDM4EMAPTHTT

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-110256342-B Synthetic method of 2-cyano quinoline derivative 河南省科学院化学研究所有限公司 2022-06-07 CN disclosed