SCHEMBL29709757

SCHEMBL29709757

Clc1ccc2c(Br)cncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
CYP2A6 P11509 1/20 0.35
POLB P06746 1/20 0.35
NR4A2 P43354 3/20 0.33
DYRK1A Q13627 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CHRM1 P11229 1/20 0.33
EPHX2 P34913 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
CHUK O15111 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
SOS2 Q07890 1/20 0.32
F7 P08709 1/20 0.31
LTA4H P09960 1/20 0.31
F3 P13726 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL4064559 1.00 NOS1 (0.37) NOS1CYP2A6POLBNR4A2DYRK1A
Bicarbonate SCHEMBL29129371 0.90 ICAM1 (0.36) ICAM1SELEVCAM1F7F3
Isobutane SCHEMBL29129383 0.84 KMO (0.36) ICAM1SELEVCAM1
Isobutane SCHEMBL29129309 0.84 KMO (0.36) ICAM1SELEVCAM1
SCHEMBL27191917 0.84 NOS1 (0.37) NOS1CYP2A6NR4A2DYRK1ABCHE
SCHEMBL5497704 0.79 NOS1 (0.39) NOS1CYP2A6NR4A2DYRK1AACHE
SCHEMBL30099343 0.79 NOS1 (0.39) NOS1CYP2A6NR4A2DYRK1AACHE
SCHEMBL6771738 0.77 CES1 (0.53)
SCHEMBL25111813 0.76 NOS1 (0.37) NOS1CYP2A6POLBNR4A2DYRK1A
SCHEMBL20423421 0.76 HSD17B1 (0.42) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4398902-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF AMYLOID PEPTIDE INTERACTIONS WITH GLYCOSAMINOGLYCANS, METHODS OF TREATMENT, AND USE THEREOF Gismo Therapeutics, Inc. (US) 2024-07-17 EP disclosed
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4271664-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-11-08 EP disclosed
EP-4259128-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-10-18 EP disclosed
WO-2023044171-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-03-23 WO disclosed
WO-2023038876-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF AMYLOID PEPTIDE INTERACTIONS WITH GLYCOSAMINOGLYCANS, METHODS OF TREATMENT, AND USE THEREOF GISMO THERAPEUTICS, INC. (US) 2023-03-16 WO disclosed
EP-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed