SCHEMBL4402602

SCHEMBL4402602

Cc1ccc(-c2ccc(C)c(F)c2F)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.54
▸ CCR5 P51681 1/20 0.54
▸ CCR8 P51685 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ PTGS2 P35354 2/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ FEN1 P39748 5/20 0.36
▸ ALOX5AP P20292 4/20 0.36
▸ TACR3 P29371 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL9419277 0.80 CCR1 (0.47) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL9419246 0.80 CCR1 (0.47) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL9419266 0.78 CCR1 (0.46) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL9419245 0.77 CCR1 (0.44) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL4402368 0.77 CCR1 (0.33) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL23667868 0.76 CCR1 (0.52) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL9419311 0.76 CCR1 (0.43) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL10303392 0.76 FEN1 (0.45) FEN1ALOX5APNPC1DHODHCYP11B1
SCHEMBL9326495 0.76 HDAC6 (0.56) CCR1CCR5CCR8HDAC6PTGS2
SCHEMBL17359276 0.75 FEN1 (0.41) PTGS2FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 — — US disclosed
US-20140362335-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS LC VISION, LLC (US) 2014-12-11 — — US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 — — US disclosed
US-8834742-B2 Polymer-doped vertically-aligned nematic liquid crystals CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-16 — — US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 — — US disclosed
US-20120105791-A1 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS NATIONAL SCIENCE FOUNDATION 2012-05-03 — — US disclosed
WO-2012016130-A2 POLYMER-DOPED VERTICALLY-ALIGNED NEMATIC LIQUID CRYSTALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-02-02 — — WO disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 — — EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 — — US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 — — EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 — — WO disclosed
Send feedback