SCHEMBL8554143

SCHEMBL8554143

O=C(O)C1CCCN(c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
AKR1C3 P42330 1/20 0.56
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 2/20 0.47
NAMPT P43490 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
USP2 O75604 1/20 0.46
NOTUM Q6P988 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
TP53BP1 Q12888 1/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46

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
SCHEMBL7380339 0.86 NOTUM (0.59) ALDH1A1CYP3A4KDM4ECYP2C9NOTUM
Hydrochloric Acid SCHEMBL4681351 0.85 NOTUM (0.58) ALDH1A1CYP3A4KDM4ECYP2C9NOTUM
SCHEMBL8547322 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL6184503 0.76 LSS (0.55) L3MBTL1NOTUM
SCHEMBL17888359 0.75 LMNA (0.63) SMN1; SMN2AKR1C3ALDH1A1GAACYP3A4
SCHEMBL8554145 0.75 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CYP3A4L3MBTL1POLB
SCHEMBL3573771 0.75 SLC6A7 (0.81) SMN1; SMN2AKR1C3ALDH1A1CYP3A4L3MBTL1
SCHEMBL21987079 0.75 POLB (0.81) SMN1; SMN2AKR1C3ALDH1A1GAACYP3A4
SCHEMBL7962391 0.75 POLB (0.81) SMN1; SMN2AKR1C3ALDH1A1GAACYP3A4
SCHEMBL7956657 0.74 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3ALDH1A1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795893-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-08-18 US disclosed