SCHEMBL6178516

SCHEMBL6178516

C[C@H](NC(=O)O)c1cccc(Oc2cc(Cl)ccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGER2 P43116 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
P2RX4 Q99571 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
POLB P06746 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL6178518 1.00 PTGER4 (0.50) PTGER4MEN1KMT2APTGER2L3MBTL1
SCHEMBL5206336 0.84 L3MBTL1 (0.41) PTGER4MEN1KMT2APTGER2L3MBTL1
SCHEMBL6175334 0.82 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL6175825 0.82 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL6177071 0.82 PTGER4 (0.47) PTGER4MEN1KMT2APTGER2SMN1; SMN2
SCHEMBL2808948 0.81 PTGER4 (0.50) PTGER4MEN1KMT2APTGER2P2RX4
SCHEMBL5206332 0.78 ALOX5 (0.44) PTGER4MEN1KMT2APTGER2L3MBTL1
SCHEMBL6177342 0.74 L3MBTL1 (0.45) PTGER4L3MBTL1P2RX4LMNACYP1A2
SCHEMBL6175963 0.74 ANO1 (0.48) L3MBTL1SMN1; SMN2LMNAHTTCYP1A2
SCHEMBL5206343 0.73 L3MBTL1 (0.43) PTGER4L3MBTL1P2RX4CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed