SCHEMBL9728348

SCHEMBL9728348

N#CCCN1CC=CN(c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
CFTR P13569 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9728500 0.70 ADRA2A (0.46) CFTR
SCHEMBL3192879 0.69 CFTR (0.39) CFTR
SCHEMBL9728417 0.69 L3MBTL1 (0.43) ALDH1A1HPGDMAPTATMTSHR
SCHEMBL10961509 0.67 LMNA (0.44) SMN1; SMN2ALDH1A1HPGDMAPTCFTR
SCHEMBL1230085 0.62 CFTR (0.59) SMN1; SMN2HPGDKDM4ECFTRATM
SCHEMBL11577567 0.62 KCNH2 (0.62) ALDH1A1KDM4EMAPTPOLB
SCHEMBL9728352 0.59 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL16361382 0.58 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL11713164 0.57 NPSR1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL11539186 0.57 POLB (0.50) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098926-A Antitumor agents UNIVERSITY PATENTS, INC. (US) 1992-03-24 US disclosed
US-4888341-A 6-substituted mitomycin analogs UNIVERSITY PATENTS, INC. (US) 1989-12-19 US disclosed