SCHEMBL21975337

SCHEMBL21975337

C1=CC(c2cc(-c3ccccc3)ncn2)=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.46
MIF P14174 1/20 0.46
KMO O15229 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
DPP4 P27487 1/20 0.35
SMO Q99835 1/20 0.35
AGTR1 P30556 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 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
SCHEMBL27060384 0.91 ASIC3 (0.44) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL22068582 0.84 ASIC3 (0.44) ASIC3MIFNPC1SMOADORA2A
SCHEMBL23033831 0.80 MAPT (0.44) SMN1; SMN2TSHRKMT2AMAPTAGTR1
SCHEMBL19072000 0.79 ASIC3 (0.45) ASIC3MIFNPC1SMOADORA2A
SCHEMBL17033540 0.78 MEN1 (0.61) SMN1; SMN2TSHRKMT2AMAPTAGTR1
SCHEMBL23682198 0.78 KMT2A (0.46) SMN1; SMN2RAB9ATSHRKMT2AMAPT
SCHEMBL22736638 0.77 MEN1 (0.55) ASIC3SMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL284286 0.76 ASIC3 (0.71) ASIC3MIFKMOSMN1; SMN2NPC1
SCHEMBL17887252 0.76 MEN1 (0.51) SMN1; SMN2TSHRCYP2C19KMT2AMAPT
SCHEMBL20940398 0.76 KMT2A (0.43) SMN1; SMN2RAB9ATSHRKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-3055303-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-02 EP disclosed
EP-3712229-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-09-23 EP disclosed
EP-3708634-A1 HETEROCYCLIC SPIRO COMPOUNDS Merck Patent GmbH (DE) 2020-09-16 EP disclosed
EP-3027708-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
EP-3647393-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-05-06 EP disclosed