SCHEMBL19365635

SCHEMBL19365635

O=C(Nc1ccncc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CCCC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDR P35968 1/20 0.39
▸ SRPK2 P78362 1/20 0.39
▸ SRPK1 Q96SB4 1/20 0.39
▸ SRPK3 Q9UPE1 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL16249947 1.00 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624591 1.00 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17618902 0.95 CA2 (0.42) IDH2KDM4EUSP2LMNATSHR
SCHEMBL17618906 0.95 CA2 (0.42) IDH2KDM4EUSP2LMNATSHR
SCHEMBL19706058 0.93 CA2 (0.41) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17624590 0.91 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL19365515 0.91 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16250014 0.91 HTR2C (0.47) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL17618371 0.91 IDH2 (0.42) IDH2KDM4EUSP2LMNAALOX15
SCHEMBL16250010 0.90 CA2 (0.42) IDH2KDM4EUSP2LMNAALOX15

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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