SCHEMBL8445502

SCHEMBL8445502

N#Cc1ccc(N(c2ccc([N+](=O)[O-])cc2)n2cnnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
PGR P06401 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
VCAM1 P19320 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 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
SCHEMBL8443328 0.88 CYP19A1 (0.55) CYP19A1MAPT
SCHEMBL8443386 0.85 CYP19A1 (0.43) CYP19A1KCNJ1KCNH2VCAM1
SCHEMBL8443364 0.84 CYP19A1 (0.53) CYP19A1
SCHEMBL5442082 0.84 CYP19A1 (0.43) CYP19A1KCNJ1KCNH2PGRMAPT
SCHEMBL8442893 0.82 CYP19A1 (0.72) CYP19A1
SCHEMBL8446596 0.80 CYP19A1 (0.41) CYP19A1KCNJ1KCNH2PGRMAPT
SCHEMBL8443728 0.80 CYP19A1 (0.69) CYP19A1KCNJ1KCNH2
SCHEMBL5998477 0.80 KMT2A (0.43) CYP19A1KCNJ1KCNH2MAPTTHRB
SCHEMBL8446288 0.78 CYP19A1 (0.44) CYP19A1MAPTVCAM1
SCHEMBL31257790 0.78 MEN1 (0.61) CYP19A1KCNJ1KCNH2PGRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641785-B1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-10-27 EP disclosed
US-5674886-A AROMATASE INHIBITOR; BREAST CANCER; UROGENITAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-07 US disclosed
EP-0641785-A1 TRIAZOLYLATED TERTIARY AMINE COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-08 EP disclosed