SCHEMBL29945901

SCHEMBL29945901

C=C(OCC)c1cc(F)c(Br)cc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SOS1 Q07889 1/20 0.40
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR27 Q9NS67 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
SCHEMBL23526480 1.00 KMT2A (0.41) KMT2ASOS1TSHRNPSR1LMNA
SCHEMBL31394743 0.83 SOS1 (0.51) SOS1TSHRNPSR1LMNASIRT6
SCHEMBL24885565 0.78 KDM4E (0.51) KMT2ATSHRLMNAKDM4EHSD17B10
SCHEMBL23526138 0.77 SOS1 (0.47) SOS1TSHRNPSR1LMNASIRT6
SCHEMBL24801995 0.77 SOS1 (0.47) SOS1TSHRNPSR1LMNASIRT6
SCHEMBL29183380 0.77 TSHR (0.44) KMT2ATSHRNPSR1LMNAKDM4E
SCHEMBL31559525 0.77 NR4A2 (0.43) KMT2ANPSR1LMNAKDM4EHSD17B10
SCHEMBL23526253 0.77 NR4A2 (0.43) KMT2ANPSR1LMNAKDM4EHSD17B10
SCHEMBL23526377 0.77 ALOX5 (0.40) KMT2ASOS1TSHRPKMKDM4E
SCHEMBL29945784 0.77 ALOX5 (0.40) KMT2ASOS1TSHRPKMKDM4E

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-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed