SCHEMBL29953317

SCHEMBL29953317

Cn1ncc2ccc(B(O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE1C Q14123 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMO O15229 1/20 0.38
CDK8 P49336 5/20 0.38
CCNC P24863 3/20 0.38
VNN1 O95497 1/20 0.38
FASN P49327 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ENPP2 Q13822 1/20 0.37
CYP11B2 P19099 1/20 0.36
MPO P05164 1/20 0.36
PTGER3 P43115 1/20 0.36

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
SCHEMBL876657 1.00 NOTUM (0.44) NOTUMERCC1ERCC4CA1CA2
SCHEMBL21172 0.86 TRPA1 (0.42) NOTUMCA1CA2PDE1CCDK8
SCHEMBL29722623 0.86 TRPA1 (0.42) NOTUMCA1CA2PDE1CCDK8
SCHEMBL17673592 0.77 PDE1C (0.38) NOTUMERCC1ERCC4PDE1CCDK8
SCHEMBL31754002 0.76 HTR2A (0.62) NOTUMERCC1ERCC4PDE1CHTR2A
SCHEMBL15730607 0.76 HTR2A (0.62) NOTUMERCC1ERCC4PDE1CHTR2A
SCHEMBL30444577 0.75 NOTUM (0.42) NOTUMERCC1ERCC4PDE1CHTR2A
SCHEMBL30401124 0.75 MGLL (0.39) CA1CA2ENPP2CYP11B2
SCHEMBL29906309 0.75 CA1 (0.38) CA1CA2PDE1CCDK8CCNC
SCHEMBL24873777 0.74 HTR2A (0.39) CA1CA2HTR2AHTR2CHTR2B

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
WO-2024213877-A1 PROCESS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-10-17 WO disclosed
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
EP-4423081-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF The Children's Medical Center Corporation (US) 2024-09-04 EP disclosed
WO-2024059559-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
WO-2023086220-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-05-19 WO disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
EP-4097095-A1 RAS INHIBITORS AND METHODS OF USING THE SAME Jazz Pharmaceuticals Ireland Limited (IE) 2022-12-07 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed