SCHEMBL7630201

SCHEMBL7630201

C#Cc1c2ccccc2c(Br)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 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
SCHEMBL1478052 0.87 CYP19A1 (0.46) CYP19A1CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL29870054 0.87 CYP19A1 (0.46) CYP19A1CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL15285618 0.86 CYP19A1 (0.37) CYP19A1CYP1A2CYP2C19POLB
SCHEMBL9929156 0.79 CYP19A1 (0.42) CYP19A1KDM4EMEN1ALDH1A1GAA
SCHEMBL4193242 0.79 CYP19A1 (0.47) CYP19A1CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL9861856 0.78 CYP19A1 (0.45) CYP19A1CYP1A2KDM4EMEN1ALDH1A1
SCHEMBL29352635 0.78 ALDH1A1 (0.44) CYP1A2CYP2C19POLBKDM4EALDH1A1
SCHEMBL28511 0.78 ALDH1A1 (0.44) CYP1A2CYP2C19POLBKDM4EALDH1A1
SCHEMBL7035972 0.75 KDM4E (0.50) CYP19A1POLBKDM4EMEN1ALDH1A1
SCHEMBL16569927 0.75 CYP3A4 (0.40) CYP19A1CYP1A2KDM4EMEN1ALDH1A1

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-6340750-B1 ANTHRACENE DERIVATIVE CONJUGATED TO BODIPY FRAGMENT; LABELS FOR DNA SEQUENCING THE TEXAS A&M UNIVERSITY SYSTEM 2002-01-22 US disclosed