SCHEMBL10401030

SCHEMBL10401030

C=C(I)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.71
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALOX12 P18054 1/20 0.64
ADRA1A P35348 1/20 0.64
TK2 O00142 1/20 0.62

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
SCHEMBL5983146 1.00 TK1 (0.71) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11052655 0.91 TK1 (0.70) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5982682 0.91 TK1 (0.70) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL10400312 0.91 TK1 (0.70) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5983818 0.88 TK1 (0.67) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5982148 0.88 TK1 (0.67) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9465344 0.88 TK1 (0.67) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1172396 0.88 TK1 (0.67) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5982483 0.88 LMNA (0.71) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4115443 0.88 LMNA (0.71) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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
US-4937233-A USED AS OINTMENT OR GEL MTA KOZPONTI KEMIAL KUTATO INTEZETE (HU) 1990-06-26 US disclosed
US-4880785-A VIRICIDES MTA KOZPONTI KEMIAI KUTATO INTEZETE AND BIOGAL GYOGYSZERGYAR (HU) 1989-11-14 US disclosed