SCHEMBL3710171

SCHEMBL3710171

COC(=O)c1ccnc(C#Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KDM6B O15054 1/20 0.52
KDM5C P41229 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52
KDM3A Q9Y4C1 1/20 0.52
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRM5 P41594 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.46
JMJD6 Q6NYC1 1/20 0.44

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
SCHEMBL17213607 0.87 KDM4E (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3714763 0.87 ALDH1A1 (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3711307 0.83 KDM4C (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709493 0.82 KDM4E (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25234058 0.81 ALDH1A1 (0.49) RAB9ANPC1GRM5ALDH1A1
SCHEMBL30563509 0.81 ALDH1A1 (0.49) RAB9ANPC1GRM5ALDH1A1
SCHEMBL29141521 0.80 KDM4E (0.57) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25294602 0.80 ROCK1 (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1758901 0.79 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29851835 0.79 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A

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
CN-115677740-A Preparation method of N, O-boron difluoride complex 华南理工大学 2023-02-03 CN disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
EP-0585328-B1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER (US) 2002-01-09 EP disclosed
US-5852038-A Substituted 3-aminoquinuclidines PFIZER INC (US) 1998-12-22 US disclosed
US-5716965-A Substituted 3-aminoquinuclidines PFIZER INC. (US) 1998-02-10 US disclosed
EP-0585328-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1994-03-09 EP disclosed
WO-1992020676-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1992-11-26 WO disclosed