SCHEMBL8845522

SCHEMBL8845522

N#Cc1ccc(N2C=NN(Nc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
PGR P06401 1/20 0.38
CTSB P07858 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
MMP14 P50281 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHODH Q02127 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 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
SCHEMBL8845774 0.84 MEN1 (0.41) MAPTKCNJ1KCNH2MEN1KMT2A
SCHEMBL8845414 0.81 KCNJ1 (0.47) MAPTTHRBKCNJ1KCNH2MEN1
SCHEMBL8845312 0.75 CHRNB4 (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8845493 0.73 LOXL2 (0.36) ALDH1A1LMNAPOLBCYP19A1
SCHEMBL8845327 0.72 KMT2A (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL16089350 0.70 VCAM1 (0.61) MAPTTHRBKCNJ1KCNH2MEN1
SCHEMBL57257 0.70 VCAM1 (0.61) MAPTTHRBKCNJ1KCNH2MEN1
SCHEMBL22495451 0.70 SIRT6 (0.63) MAPTKCNJ1KCNH2MEN1KMT2A
SCHEMBL8845328 0.69 CYP19A1 (0.44) MAPTKCNJ1KCNH2MEN1KMT2A
SCHEMBL8845922 0.69 POLB (0.48) MAPTMEN1KMT2AALDH1A1TDP1

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-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 US disclosed