SCHEMBL29945684

SCHEMBL29945684

O=Cc1cc(F)cc(Br)c1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
PRKDC P78527 1/20 0.36
LMNA P02545 1/20 0.33
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTPN1 P18031 2/20 0.30

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
SCHEMBL332788 1.00 ERN1 (0.47) ERN1PRKDCLMNACES2CES1
SCHEMBL14876998 0.82 ERN1 (0.47) ERN1PRKDCLMNACES2CES1
SCHEMBL1592418 0.82 ERN1 (0.57) ERN1PRKDCLMNAKDM4EALDH1A1
SCHEMBL29914869 0.79 ERN1 (0.39) ERN1PRKDCLMNAPTPN1
SCHEMBL3060245 0.79 ERN1 (0.39) ERN1PRKDCLMNAPTPN1
SCHEMBL931158 0.78 ERN1 (0.64) ERN1KDM4EALDH1A1
SCHEMBL31008305 0.78 ERN1 (0.60) ERN1PRKDCLMNAPTPN1
SCHEMBL8221595 0.78 ERN1 (0.60) ERN1PRKDCLMNAPTPN1
SCHEMBL1571069 0.78 ERN1 (0.44) ERN1PRKDCLMNA
SCHEMBL12135681 0.78 ERN1 (0.48) ERN1PRKDCLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed
CN-119546304-A Salts of SOS1 inhibitors 米拉蒂治疗公司 2025-02-28 CN disclosed
CN-119462626-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2025-02-18 CN disclosed
EP-4486445-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND RELATED USES Centessa Pharmaceuticals (UK) Limited (GB) 2025-01-08 EP disclosed
CN-119156375-A Bicyclic heterocyclic derivatives and related uses 森特萨制药(英国)有限公司 2024-12-17 CN disclosed
CN-115135315-B SOS1 inhibitors 米拉蒂治疗股份有限公司 2024-11-26 CN disclosed
WO-2023167865-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND RELATED USES OREXIA THERAPEUTICS LIMITED (GB) 2023-09-07 WO disclosed
CN-116583502-A Bicyclic-heterocyclic derivatives and their use as orexin-2 receptor agonists 欧瑞夏治疗有限公司 2023-08-11 CN disclosed
CN-115135315-A SOS1 inhibitors 米拉蒂治疗股份有限公司 2022-09-30 CN disclosed