SCHEMBL8845309

SCHEMBL8845309

O=[N+]([O-])c1ccc(NN2CN(Cc3ccc(Cl)cc3)C=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 4/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 4/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.40
YES1 P07947 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL8845328 0.95 CYP19A1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845438 0.89 SMN1; SMN2 (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8845463 0.89 KCNJ1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845468 0.89 CYP19A1 (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845405 0.89 SLC29A1 (0.40) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845932 0.89 BCHE (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845246 0.86 KCNJ1 (0.47) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845454 0.86 TGM2 (0.46) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL8845414 0.86 KCNJ1 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8845195 0.82 POLB (0.37) MAPTMEN1KMT2AALDH1A1HTT

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