SCHEMBL5665672

SCHEMBL5665672

CCN(CC)c1ccc(C(c2ccc(C#N)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
GRK6 P43250 1/20 0.45
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2A6 P11509 2/20 0.42
PSMD14 O00487 1/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
CNR2 P34972 5/20 0.41

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
SCHEMBL63804 0.89 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL131813 0.84 ALDH1A1 (0.56) GRK6ALDH1A1MEN1MAPTKMT2A
SCHEMBL5010054 0.80 CYP2A6 (0.53) CYP19A1ALDH1A1MEN1MAPTKMT2A
SCHEMBL12636510 0.79 PGR (0.48) CYP19A1ALDH1A1MEN1MAPTKMT2A
SCHEMBL21594521 0.79 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL21594513 0.79 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL6716916 0.79 MAPT (0.55) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL6716922 0.79 MAPT (0.55) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL4078028 0.78 CYP19A1 (0.68) CYP19A1ALDH1A1TSHRCYP2A6CYP3A4
SCHEMBL3895327 0.77 GRK6 (0.41) GRK6ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed