SCHEMBL7940092

SCHEMBL7940092

Nc1ccc(C(=O)c2cc(C(=O)c3ccc(N)cc3)cc(C(=O)c3ccc(N)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
PBRM1 Q86U86 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 5/20 0.48
PKM P14618 2/20 0.48
MAPT P10636 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
SRD5A2 P31213 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL204877 0.92 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL9097535 0.92 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL62657 0.92 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL27147137 0.90 PBRM1 (0.52) CA12CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL8640288 0.89 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL203108 0.88 PBRM1 (0.67) CA12CA1CA2CA9CA14
SCHEMBL17281693 0.87 PARP10 (0.66) HPGDTDP1MAPTSRD5A2MEN1
SCHEMBL6651963 0.84 CNR1 (0.53) CA12CA1CA2CA9CA14
SCHEMBL8962573 0.84 CA1 (0.70) CA12CA1CA2CA9CA14
SCHEMBL28027005 0.84 CA1 (0.70) CA12CA1CA2CA9CA14

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-6262223-B1 FOR FORMING COMPOSITES USING COMPRESSION MOLDING, AUTOCLAVE MOLDING OR RESIN TRANSFER MOLDING TECHNIQUES; GLASS TRANSITION TEMPERATURE, THERMO-OXIDATIVE STABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-07-17 US claimed
US-6262223-B1 FOR FORMING COMPOSITES USING COMPRESSION MOLDING, AUTOCLAVE MOLDING OR RESIN TRANSFER MOLDING TECHNIQUES; GLASS TRANSITION TEMPERATURE, THERMO-OXIDATIVE STABILITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2001-07-17 US disclosed