SCHEMBL4772885

SCHEMBL4772885

Cn1nnnc1NC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
EPHX1 P07099 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
RECQL P46063 1/20 0.52
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
TAAR1 Q96RJ0 4/20 0.49
KMT2A Q03164 4/20 0.49
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 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
SCHEMBL17080331 0.83 POLB (0.65) POLBSMN1; SMN2TP53TSHRNPC1
SCHEMBL18761926 0.83 POLB (0.65) POLBSMN1; SMN2TP53TSHRNPC1
SCHEMBL9112952 0.80 SMN1; SMN2 (0.52) POLBSMN1; SMN2TP53TSHREPHX1
SCHEMBL2211925 0.76 LMNA (0.49) POLBSMN1; SMN2TP53TSHRRECQL
SCHEMBL20448259 0.76 POLB (0.67) POLBSMN1; SMN2RECQLNPC1RAB9A
SCHEMBL23234126 0.74 MMP1 (0.53) POLBSMN1; SMN2NPC1RAB9AKMT2A
Diphenylurea SCHEMBL133103 0.73 SMN1; SMN2 (1.00) SMN1; SMN2TP53TSHREPHX1EPHX2
SCHEMBL4661223 0.73 RECQL (0.53) SMN1; SMN2TP53RECQLNPC1RAB9A
SCHEMBL20502822 0.72 POLB (0.66) POLBSMN1; SMN2TP53NPC1RAB9A
Diphenylurea SCHEMBL3037927 0.71 SMN1; SMN2 (0.94) SMN1; SMN2TP53TSHREPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682105-A4 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
EP-1682105-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-26 EP disclosed
WO-2005048932-A2 N-UREIDOALKYL-AMINO COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed