SCHEMBL29992724

SCHEMBL29992724

COc1cccc2c1ccn2C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
FABP4 P15090 2/20 0.51
HTR2C P28335 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOTUM Q6P988 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1B P49286 4/20 0.42
MTNR1A P48039 3/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41

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
SCHEMBL15018734 1.00 HTR6 (0.52) HTR6FABP4HTR2CCA12CA1
SCHEMBL28481986 0.83 FABP4 (0.48) HTR6FABP4HTR2CCA12CA1
SCHEMBL20905130 0.81 HTR6 (0.45) HTR6FABP4HTR2CCA12CA1
SCHEMBL2116949 0.81 KDM4E (0.48) HTR6FABP4HTR2CNOTUMFFAR4
SCHEMBL29992759 0.80 FABP4 (0.46) HTR6FABP4HTR2CNOTUMFFAR4
SCHEMBL8211914 0.80 FABP4 (0.46) HTR6FABP4HTR2CNOTUMFFAR4
SCHEMBL2157543 0.80 HTR6 (0.44) HTR6FABP4HTR2CNOTUMKDM4E
SCHEMBL29015481 0.79 HTR6 (0.46) HTR6FABP4HTR2CCA1CA2
SCHEMBL3902984 0.79 PPARG (0.39) FABP4CA12CA1CA2CA7
SCHEMBL5623104 0.77 NOTUM (0.49) FABP4HTR2CNOTUMKDM4EALDH1A1

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
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
EP-4334285-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS Kare Chemical Technologies Inc. (CA) 2024-03-13 EP disclosed
CN-116249554-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-06-09 CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 EP disclosed
WO-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed