SCHEMBL18423487

SCHEMBL18423487

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)CC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.73
P2RY2 P41231 3/20 0.73
SRC P12931 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
P2RX1 P51575 2/20 0.73
P2RX3 P56373 2/20 0.73
ALDH1A1 P00352 2/20 0.73
P2RX4 Q99571 1/20 0.73
P2RX2 Q9UBL9 1/20 0.73
TRPM2 O94759 2/20 0.70
TAS1R3 Q7RTX0 2/20 0.70
TAS1R1 Q7RTX1 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
ADORA1 P30542 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70

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
Adenosine Phosphate SCHEMBL2406483 0.90 P2RY1 (0.81) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30051599 0.89 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL4945718 0.89 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1858296 0.89 MARS1 (0.75) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL5063172 0.89 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30151699 0.88 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1889589 0.87 P2RY1 (0.68) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL28319431 0.87 P2RY1 (0.82) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL3046222 0.87 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL5055892 0.87 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220071-B2 Microcin and uses thereof WASHINGTON STATE UNIVERSITY (US) 2019-03-05 US disclosed
US-20180264078-A1 NOVEL MICROCIN AND USES THEREOF WASHINGTON STATE UNIVERSITY 2018-09-20 US disclosed
US-10022423-B2 Microcin and uses thereof WASHINGTON STATE UNIVERSITY (US) 2018-07-17 US disclosed
US-20170028017-A1 NOVEL MICROCIN AND USES THEREOF WASHINGTON STATE UNIVERSITY (US) 2017-02-02 US disclosed