SCHEMBL8773387

SCHEMBL8773387

CCCCCCCCN(CCCCCCCC)c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 3/20 0.40
KCNH2 Q12809 6/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
GRM2 Q14416 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL8746684 1.00 HDAC6 (0.41) HDAC6TSHRKCNH2ALDH1A1TP53
SCHEMBL8746679 0.93 TSHR (0.42) HDAC6TSHRKCNH2ALDH1A1GRM2
SCHEMBL20157017 0.90 TSHR (0.40) HDAC6TSHRALDH1A1L3MBTL1NPC1
SCHEMBL20133582 0.86 TSHR (0.42) HDAC6TSHRALDH1A1NPC1RAB9A
SCHEMBL3477012 0.82 TSHR (0.39) HDAC6TSHRKCNH2ALDH1A1TP53
SCHEMBL9798892 0.82 KCNH2 (0.47) KCNH2ALDH1A1TP53NPC1JAK2
SCHEMBL27687752 0.82 HDAC6 (0.34) HDAC6TSHRKCNH2
SCHEMBL9278064 0.80 KCNH2 (0.44) KCNH2ALDH1A1TP53NPC1JAK2
SCHEMBL16583810 0.78 KDM4E (0.41) TSHRALDH1A1L3MBTL1HSD17B10HPGD
SCHEMBL2560142 0.78 TSHR (0.45) HDAC6TSHRALDH1A1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639587-B1 Diene polymers and copolymers terminated with compounds having multiple-bonded nitrogen atoms and partially crosslinked with polyfunctional reagents BRIDGESTONE FIRESTONE INC (US) 1997-10-22 EP disclosed
EP-0543305-B1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from fused-ring polynuclear aromatic compounds or aromatic nitrile compounds BRIDGESTONE CORP (JP) 1995-10-11 EP disclosed
EP-0639587-A1 Diene polymeres and copolymers terminated with compounds having multiple-bonded nitrogen atoms and partially crosslinked with polyfunctional reagents BRIDGESTONE/FIRESTONE, INC. (US) 1995-02-22 EP disclosed
US-5310798-A Tire treads BRIDGESTONE/FIRESTONE, INC. (US) 1994-05-10 US disclosed
US-5254628-A Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from aromatic nitrile compounds BRIDGESTONE CORPORATION (JP) 1993-10-19 US disclosed
EP-0543305-A1 Diene polymers having reduced hysteresis and improved raw viscosity incorporating primary partial coupling and terminals formed from fused-ring polynuclear aromatic compounds or aromatic nitrile compounds BRIDGESTONE CORPORATION (JP) 1993-05-26 EP disclosed