SCHEMBL30683315

SCHEMBL30683315

CC1(c2ccc(Nc3cccc(C(F)(F)F)c3)c(Br)c2)CCNC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 8/20 0.44
▸ MPO P05164 3/20 0.43
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTK6 Q13882 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ BUB1 O43683 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
SCHEMBL27035550 1.00 KIF11 (0.44) KIF11MPOAKR1C3AKR1C2RXFP1
SCHEMBL30683308 0.89 JAK2 (0.39) KIF11AKR1C3AKR1C2
SCHEMBL27035626 0.89 JAK2 (0.39) KIF11AKR1C3AKR1C2
SCHEMBL27035576 0.80 TEAD1 (0.52) KIF11AKR1C3AKR1C2PTK6BUB1
SCHEMBL27067091 0.72 AKR1C3 (0.42) KIF11AKR1C3AKR1C2LMNAALDH1A1
SCHEMBL31374699 0.71 AKR1C3 (0.41) KIF11AKR1C3AKR1C2RXFP1
SCHEMBL27035554 0.71 JAK2 (0.38) KIF11AKR1C3AKR1C2
SCHEMBL27035563 0.71 AKR1C3 (0.41) KIF11AKR1C3AKR1C2RXFP1
SCHEMBL30683313 0.71 TEAD1 (0.37) KIF11AKR1C3AKR1C2
SCHEMBL27035687 0.71 TEAD1 (0.37) KIF11AKR1C3AKR1C2

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
EP-4558485-A1 TEAD INHIBITORS AND METHODS OF USE Sporos Biodiscovery, Inc. (US) 2025-05-28 — — EP disclosed
CN-119497708-A TEAD inhibitors and methods of use 思博睿生物探索公司 2025-02-21 — — CN disclosed
WO-2024020350-A1 TEAD INHIBITORS AND METHODS OF USE SPOROS BIODISCOVERY, INC. (US) 2024-01-25 — — WO disclosed
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