SCHEMBL29956508

SCHEMBL29956508

COc1ccc2cc(C=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.54
CYP2A6 P11509 1/20 0.53
FLT3 P36888 3/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
PRF1 P14222 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5828348 1.00 CA2 (0.54) CA2CYP2A6FLT3PDGFRBPDGFRA
SCHEMBL92643 0.86 AXL (0.59) CA2CYP2A6FLT3PDGFRBPDGFRA
SCHEMBL29953506 0.86 AXL (0.59) CA2CYP2A6FLT3PDGFRBPDGFRA
SCHEMBL20853005 0.83 CA2 (0.50) CA2CYP2A6FLT3PDGFRBPDGFRA
SCHEMBL12143604 0.80 CYP2A6 (0.46) CA2CYP2A6FLT3MAPTKMT2A
SCHEMBL29956595 0.79 KDM4E (0.51) CA2FLT3PDGFRBPDGFRAALDH1A1
SCHEMBL1039269 0.79 KDM4E (0.51) CA2FLT3PDGFRBPDGFRAALDH1A1
SCHEMBL27374831 0.79 CYP2A6 (0.49) CYP2A6HPGDMAOB
SCHEMBL29466343 0.77 CYP2A6 (0.58) CYP2A6FLT3ALDH1A1KDM4EMAPT
SCHEMBL5361224 0.77 CYP2A6 (0.58) CYP2A6FLT3ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285455-A 2-benzoyl indole compounds and application thereof 江苏开元药业有限公司 2023-12-26 CN disclosed
EP-4139291-A1 COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF Anima Biotech Inc. (US) 2023-03-01 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