SCHEMBL11522697

SCHEMBL11522697

CCn1c(-c2ccccc2O)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
KDM4E B2RXH2 8/20 0.69
HPGD P15428 6/20 0.69
HTT P42858 5/20 0.69
MAPT P10636 3/20 0.69
KMT2A Q03164 3/20 0.69
HSD17B10 Q99714 3/20 0.69
MAPK1 P28482 3/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 2/20 0.69
ALOX15 P16050 1/20 0.69
TSHR P16473 1/20 0.69
NPY1R P25929 1/20 0.69
NPY2R P49146 1/20 0.69
RCE1 Q9Y256 1/20 0.55
TP53 P04637 1/20 0.55
NPSR1 Q6W5P4 3/20 0.54
CYP1A2 P05177 2/20 0.54
GFER P55789 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL231419 0.89 KDM4E (0.64) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL4017475 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL6561933 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL230641 0.83 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL31558362 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL10082006 0.81 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL19775176 0.81 KDM4E (0.61) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL230403 0.79 KDM4E (0.57) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL11313561 0.78 KDM4E (0.73) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL11324748 0.77 ATM (0.49) ALDH1A1KDM4EHPGDHTTMAPT

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-4174321-A POLYMERIC MOLDING MATERIALS EASTMAN KODAK COMPANY (US) 1979-11-13 US disclosed
US-4127501-A BENZOXAZOLE, BENZOTHIAZOLE, BENZIMIDAZOLE, BENZOTRIAZOLE OR INDOLE DERIVATIVES EASTMAN KODAK COMPANY (US) 1978-11-28 US disclosed