SCHEMBL15330804

SCHEMBL15330804

O=Cc1nnc(-c2cccc(F)c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HPGDS O60760 2/20 0.41
TYMP P19971 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
NOTUM Q6P988 2/20 0.39
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GRK6 P43250 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL12130304 0.84 MGAM (0.46) PIN1MGAMGAASIMGAM2
SCHEMBL12128315 0.81 PIN1 (0.49) PIN1MGAMGAASIMGAM2
SCHEMBL15331667 0.81 HRH1 (0.47) GAATYMPIDO1ALDH1A1
SCHEMBL15330500 0.81 HRH1 (0.47) PIN1MGAMGAASIMGAM2
SCHEMBL15330749 0.81 PIN1 (0.46) PIN1TYMPNOTUMIDO1GRK6
SCHEMBL15329978 0.80 SCN2A (0.51) PIN1TYMPNOTUMIDO1KDM4E
SCHEMBL15330967 0.80 NPC1 (0.39) MGAMGAASIMGAM2TYMP
SCHEMBL2558505 0.79 NPC1 (0.52) PIN1GAATNKS2NISCHALDH1A1
SCHEMBL12128318 0.79 PIN1 (0.47) PIN1MGAMGAASIMGAM2
SCHEMBL15331688 0.77 PIN1 (0.47) PIN1TYMPNOTUMIDO1GRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed