SCHEMBL31521787

SCHEMBL31521787

Cc1c(Br)cccc1-n1cnc2cc(C(=O)O)cc(I)c21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
FGFR1 P11362 4/20 0.38
RXRA P19793 1/20 0.35
HCAR1 Q9BXC0 5/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCAR3 P49019 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL23726015 0.77 HPGD (0.46) HPGDALDH1A1LMNAFGFR1RXRA
SCHEMBL2339842 0.67 HPGD (0.70) HPGDALDH1A1LMNAFGFR1RXRA
SCHEMBL31521802 0.67 NSD2 (0.37) HCAR1
SCHEMBL2654091 0.67 FGFR1 (0.48) HPGDALDH1A1FGFR1
SCHEMBL29473228 0.66 CDK9 (0.36) HPGDALDH1A1
SCHEMBL22307226 0.66 CDK9 (0.36) HPGDALDH1A1
SCHEMBL23724859 0.65 GAA (0.41) HPGDTSHR
SCHEMBL29965729 0.65 MEN1 (0.56) HCAR1
SCHEMBL122995 0.65 MEN1 (0.56) HCAR1
SCHEMBL21820598 0.65 KDM2B (0.43) HPGDALDH1A1LMNAFGFR1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365995-B Immunomodulators, compositions and methods thereof 贝达药业股份有限公司 2025-03-04 CN disclosed