SCHEMBL29950987

SCHEMBL29950987

O=Cc1c(-c2ccccc2F)nn(-c2ccccc2F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 11/20 0.42
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL15330388 0.92 KCNN4 (0.46) KCNN4HPGDKMT2AMAPT
SCHEMBL15331989 0.92 KCNN4 (0.46) KCNN4HPGDKMT2AMAPTTP53
SCHEMBL2556602 0.91 KCNN4 (0.40) KCNN4HPGDKMT2AMAPTPIM1
SCHEMBL15332424 0.89 KCNN4 (0.36) KCNN4HPGDKMT2AMAPTTP53
SCHEMBL15332581 0.89 NPC1 (0.38) KCNN4KMT2AMAPTTP53
SCHEMBL15331603 0.89 TP53 (0.40) KCNN4MAPTTP53
SCHEMBL2558925 0.89 MAPK13 (0.40) KCNN4HPGDKMT2APIM1PIM3
SCHEMBL15331682 0.86 RAB9A (0.43) HPGDKMT2AMAPTTP53SMN1; SMN2
SCHEMBL15331113 0.86 HPGD (0.39) KCNN4HPGDKMT2ASMN1; SMN2
SCHEMBL15329895 0.86 KMT2A (0.39) KCNN4HPGDKMT2AMAPTSMN1; 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 1 patent. 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