SCHEMBL29110458

SCHEMBL29110458

CNS(=O)(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)c([C@@H]2CC(Cl)=NO2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.58
▸ TNNI3K Q59H18 9/20 0.45
▸ MAPT P10636 2/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ BRD4 O60885 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
SCHEMBL24497323 1.00 TEAD1 (0.58) TEAD1TNNI3KMAPTYAP1MEN1
SCHEMBL29648369 1.00 TEAD1 (0.58) TEAD1TNNI3KMAPTYAP1MEN1
SCHEMBL29110484 0.89 TEAD1 (0.74) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL24497408 0.89 TEAD1 (0.74) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL29648430 0.89 TEAD1 (0.74) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL24497320 0.89 TEAD1 (0.74) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL24497430 0.78 TEAD1 (0.61) TEAD1TNNI3KMAPTMEN1KMT2A
SCHEMBL24497415 0.78 TEAD1 (0.61) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL24497414 0.78 TEAD1 (0.61) TEAD1TNNI3KMAPTYAP1BRAF
SCHEMBL29648418 0.78 TEAD1 (0.61) TEAD1TNNI3KMAPTMEN1KMT2A

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-117561061-A Combination of 3- (imidazol-4-yl) -4- (amino) -benzenesulfonamide TEAD inhibitors with EGFR inhibitors and/or MEK inhibitors for the treatment of lung cancer 医肯纳肿瘤学公司 2024-02-13 — — CN disclosed
CN-117015531-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2023-11-07 — — CN disclosed
Send feedback