SCHEMBL31369080

SCHEMBL31369080

Nc1c(-c2ccccc2)ccc(C(=O)O)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HNF4A P41235 2/20 0.41
CYP2C8 P10632 1/20 0.40
FOLH1 Q04609 1/20 0.40
BCAT2 O15382 1/20 0.40
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IKBKE Q14164 1/20 0.38

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
SCHEMBL2524408 0.85 PTPN1 (0.46) ALDH1A1MAPTHPGDPTPN1KDM4E
SCHEMBL29451101 0.84 CFTR (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL6316181 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL27587157 0.79 PTPN1 (0.44) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL5934445 0.79 HNF4A (0.54) PTPN1HNF4ACYP2C8FOLH1FABP4
SCHEMBL2174123 0.78 HNF4A (0.58) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7211572 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2805234 0.77 ACLY (0.46) ALDH1A1PTPN1HNF4ACYP2C8FOLH1
SCHEMBL28022356 0.77 PDK2 (0.45) ALDH1A1PTPN1HNF4ACYP2C8FOLH1
SCHEMBL28615493 0.77 PTPN1 (0.43) ALDH1A1MEN1KMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823106-A Enhanced nucleic acid polymerization by aromatic compounds 豪夫迈·罗氏有限公司 2025-04-15 CN disclosed
CN-114144520-B Enhanced nucleic acid polymerization by aromatic compounds 豪夫迈·罗氏有限公司 2024-12-13 CN disclosed