SCHEMBL6875862

SCHEMBL6875862

CCOc1cc(C(=O)OC)cc(OCc2ccccc2)c1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
MRGPRX4 Q96LA9 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL16447278 0.95 HPGD (0.65) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL16055314 0.90 MRGPRX4 (0.53) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL6865198 0.87 HPGD (0.71) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL16055179 0.86 HPGD (0.62) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL6865895 0.86 CREBBP (0.49) LMNAKDM4EPOLBMEN1KMT2A
SCHEMBL18660058 0.85 SMN1; SMN2 (0.62) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL30820546 0.85 SMN1; SMN2 (0.62) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL2338199 0.82 HPGD (0.76) LMNAHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL16015342 0.82 LMNA (0.67) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A
SCHEMBL28448203 0.82 HPGD (0.71) LMNAHPGDMRGPRX4SMN1; SMN2RAB9A

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-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed