SCHEMBL15330409

SCHEMBL15330409

O=Cc1c(-c2cccc(F)c2)nn(-c2cccc(Cl)c2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
ESR1 P03372 1/20 0.35
TRPV1 Q8NER1 4/20 0.35
ACLY P53396 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PPP1CA P62136 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2558547 0.92 TRPV1 (0.36) NPC1RAB9AATMIDO1TDO2
SCHEMBL29955286 0.91 NPC1 (0.39) NPC1RAB9AATMIDO1TDO2
SCHEMBL2554743 0.89 POLB (0.41) IDO1TDO2ESR1TRPV1PPP1CA
SCHEMBL15331429 0.89 DHODH (0.40) IDO1TDO2GAAALDH1A1KMT2A
SCHEMBL15329796 0.88 DHODH (0.37) IDO1TDO2GAAALDH1A1KMT2A
SCHEMBL2556481 0.88 DGAT2 (0.40) ATMALDH1A1KMT2A
SCHEMBL2559499 0.88 MAPT (0.37) NPC1RAB9AATMIDO1TDO2
SCHEMBL2562810 0.88 GRM5 (0.35) NPC1RAB9ATRPV1ALDH1A1KMT2A
SCHEMBL15331332 0.88 KMT2A (0.39) NPC1RAB9AATMESR1TRPV1
SCHEMBL15330556 0.88 NPC1 (0.44) NPC1RAB9AATMIDO1TDO2

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