SCHEMBL28031301

SCHEMBL28031301

O=COCc1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
AKR1B1 P15121 17/20 0.46
TRPV1 Q8NER1 2/20 0.46
AKR1A1 P14550 5/20 0.45
AKR1B10 O60218 1/20 0.45
GLO1 Q04760 1/20 0.45

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
SCHEMBL27470099 0.78 AKR1B1 (0.42) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL17484182 0.77 NPC1 (0.58) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL7082892 0.77 DYRK1A (0.49) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL359623 0.77 DYRK1A (0.49) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL3265720 0.77 LOXL2 (0.59) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL360373 0.77 DYRK1A (0.49) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
Hydrochloric Acid SCHEMBL15708092 0.76 DYRK1A (0.48) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
Hydrochloric Acid SCHEMBL30209135 0.76 LOXL2 (0.58) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10
SCHEMBL324660 0.75 SMN1; SMN2 (0.59)
SCHEMBL4900594 0.74 ILK (0.47) DYRK1AAKR1B1TRPV1AKR1A1AKR1B10

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
CN-104902751-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed