SCHEMBL15330663

SCHEMBL15330663

Cn1nc(-c2c(F)cccc2F)c(C=O)c1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ERN1 O75460 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15331411 0.90 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15330811 0.84 HSD11B1 (0.35) ALDH1A1
SCHEMBL15332547 0.84 MAPT (0.36) ALDH1A1SMN1; SMN2
SCHEMBL2554265 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2562457 0.82 CYP1A2 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15332729 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15329593 0.79 ERN1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15331899 0.78 ALDH1A1 (0.38) ALDH1A1CYP1A2
SCHEMBL2563840 0.78 LMNA (0.40) ALDH1A1SMN1; SMN2
SCHEMBL2561884 0.78 KCNN4 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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