SCHEMBL28958350

SCHEMBL28958350

NC(=O)Cc1ccccc1-c1ccccc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.43
ATR Q13535 1/20 0.41
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
F2 P00734 2/20 0.39
F12 P00748 2/20 0.39
GRM4 Q14833 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38

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
SCHEMBL1177969 0.79 KDM4E (0.53) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL28555590 0.79 GRM5 (0.61) TGFBR1GRM5KDM4ELMNACYP1A2
SCHEMBL29723140 0.75 KDM4E (0.68) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL22881677 0.75 KDM4E (0.68) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL12853986 0.75 KDM4E (0.68) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL12853975 0.75 KDM4E (0.68) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL7976970 0.74 ALDH1A1 (0.50) KDM4ELMNACYP1A2GRM4BRD4
Hydrochloric Acid SCHEMBL29983197 0.73 KDM4E (0.65) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL858806 0.73 KDM4E (0.72) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL27801794 0.73 ALDH1A1 (0.50) ATRKDM4EBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289697-B Scoring balloon with translating score line 巴德股份有限公司 2023-02-28 CN disclosed
CN-114795402-A Scoring balloon with translating score line 巴德股份有限公司 2022-07-29 CN disclosed
CN-113924101-A Immunomodulatory oligosaccharides for the treatment of pain 因特因思克医药物公司 2022-01-11 CN disclosed