SCHEMBL7260147

SCHEMBL7260147

CCC(c1ccc(Nc2ncnc3cccc(C)c23)cc1)C(Nc1c(OC(C)C)c(=O)c1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ERBB2 P04626 9/20 0.35
KCNH2 Q12809 6/20 0.35
EGFR P00533 5/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ERBB4 Q15303 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL7260141 0.80 RAB9A (0.39) RAB9APOLBMAPTSMN1; SMN2NPC1
SCHEMBL7260150 0.80 RAB9A (0.39) RAB9APOLBMAPTSMN1; SMN2NPC1
SCHEMBL7260154 0.79 RAB9A (0.35) RAB9APOLBMAPTSMN1; SMN2NPC1
SCHEMBL7105520 0.78 F7 (0.36) RAB9APOLBMAPTSMN1; SMN2NPC1
SCHEMBL7105193 0.77 RAB9A (0.42) RAB9APOLBMAPTSMN1; SMN2ERBB2
SCHEMBL7714235 0.72 MAPT (0.36) POLBMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL7716176 0.71 AKR1C3 (0.36) MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL7716173 0.67 MAPT (0.37) POLBMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL7105190 0.65 RAB9A (0.47) RAB9APOLBMAPTSMN1; SMN2ERBB2
SCHEMBL6888636 0.65 RAB9A (0.47) RAB9APOLBMAPTSMN1; SMN2NPC1

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-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed