SCHEMBL9836739

SCHEMBL9836739

CCNC(=O)N(CC)C1c2ccccc2OCc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
P2RX7 Q99572 6/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXAS1 P24557 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9837059 0.80 MEN1 (0.36) TSHRMEN1USP2KMT2ASMN1; SMN2
SCHEMBL9836548 0.78 LMNA (0.35) P2RX7MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9836562 0.72 P2RX7 (0.36) MAPK1P2RX7GAAMEN1USP2
SCHEMBL9836747 0.70 GAA (0.36) TSHRHPGDMAPK1GAAHTT
SCHEMBL9836996 0.69 MAOA (0.48) P2RX7CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8797476 0.69 MAPT (0.43) TSHRP2RX7MEN1KMT2ATBXAS1
SCHEMBL9834971 0.68 ALDH1A1 (0.36) MEN1KMT2ATBXAS1ALDH1A1ALOX15
SCHEMBL9836237 0.68 ALDH1A1 (0.41) P2RX7HTTCYP1A2CYP3A4CYP2C9
SCHEMBL9835913 0.67 P2RX7 (0.36) P2RX7KMT2ATBXAS1LMNASMN1; SMN2
SCHEMBL9835639 0.67 ALDH1A1 (0.42) GAAALDH1A1ALOX15

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
EP-0129879-B1 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-09-11 EP claimed
US-4547496-A Antiulcer [1] benzepino[3,4-b]pyridine and compositions KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-10-15 US claimed
EP-0129879-A2 A [1] benzepino(3,4-b)pyridine derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-02 EP claimed