SCHEMBL6683880

SCHEMBL6683880

NC(=O)C(Oc1ccccc1)c1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
CYP19A1 P11511 2/20 0.35
HTT P42858 1/20 0.35
LTA4H P09960 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK1 P28482 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM1 P11229 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL4557709 0.74 ALDH1A1 (0.44) LMNACYP19A1HTTP2RX7MAPK1
SCHEMBL27494778 0.73 SLC6A3 (0.35) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3421581 0.73 CHRM1 (0.35) POLBSMN1; SMN2ALDH1A1CHRM1CYP2C9
SCHEMBL1258979 0.72 CHRM1 (0.51) POLBSMN1; SMN2ALDH1A1KDM4ECHRM1
SCHEMBL14968784 0.72 P2RX7 (0.43) NPC1RAB9ACYP19A1P2RX7KDM4E
SCHEMBL2176754 0.71 P2RX7 (0.42) NPC1RAB9ACYP19A1P2RX7KDM4E
SCHEMBL2176759 0.71 P2RX7 (0.42) NPC1RAB9ACYP19A1P2RX7KDM4E
SCHEMBL31288012 0.71 PARP10 (0.33) POLBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL640541 0.71 CSNK1A1 (0.46) MAPK1SMN1; SMN2ALDH1A1KDM4EALPL
SCHEMBL7470027 0.71 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-1409489-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2004-04-21 EP disclosed
WO-2003000694-A1 6-PHENYLDIHYDROPYRROLOPYRIMIDINEDIONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-03 WO disclosed