SCHEMBL28034055

SCHEMBL28034055

CCN(NCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RIPK1 Q13546 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
EPHX2 P34913 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL4556797 0.86 RIPK1 (0.42) LMNANPC1RAB9ARIPK1SMN1; SMN2
SCHEMBL3085177 0.85 NPC1 (0.48) LMNANPC1RAB9ACYP2C19ALDH1A1
SCHEMBL28303312 0.82 RXFP1 (0.45) NPC1RAB9ARIPK1SMN1; SMN2ALDH1A1
SCHEMBL28304517 0.82 NPC1 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL28303247 0.79 CA12 (0.48) LMNARAB9ARIPK1SMN1; SMN2L3MBTL1
SCHEMBL7074490 0.76 NPC1 (0.44) LMNANPC1RAB9ACYP2C19ALDH1A1
SCHEMBL8854666 0.76 CYP3A4 (0.50) L3MBTL1CYP3A4ALDH1A1ADH1BADH1C
SCHEMBL5499258 0.76 HPGD (0.45) NPC1RAB9ARIPK1SMN1; SMN2CYP3A4
SCHEMBL24501680 0.75 IDO1 (0.46) LMNARIPK1SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL10650842 0.74 LMNA (0.58) LMNANPC1RAB9ARIPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956900-A Compound and pharmaceutical composition comprising it 财团法人工业技术研究院 2019-07-02 CN disclosed
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed
CN-103068830-B Arginase inhibitors and therapeutic uses thereof 马尔斯公司 2016-06-29 CN disclosed
CN-104876955-A Inhibitors Of Arginase And Their Therapeutic Applications MARS INC 2015-09-02 CN disclosed