SCHEMBL29224064

SCHEMBL29224064

Nc1nc(Cl)nc2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
ACHE P22303 6/20 0.47
MAP4K4 O95819 1/20 0.41
MPO P05164 1/20 0.40
BACE1 P56817 1/20 0.39
DHFR P00374 2/20 0.39
TARS1 P26639 3/20 0.38
ABL1 P00519 1/20 0.38
BCHE P06276 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8900878 0.85 HTT (0.64) HTTACHEMAP4K4MPOBACE1
SCHEMBL29663483 0.85 HTT (0.64) HTTACHEMAP4K4MPOBACE1
SCHEMBL2776889 0.81 DHFR (0.58) ACHEMAP4K4DHFR
SCHEMBL3314521 0.81 NR4A2 (0.53) HTTACHEMAP4K4MPODHFR
SCHEMBL30014038 0.81 ACHE (0.42) HTTACHEMPOBACE1BCHE
SCHEMBL1994310 0.81 ACHE (0.42) HTTACHEMPOBACE1BCHE
SCHEMBL2777857 0.78 MPO (0.46) ACHEMPOBACE1DHFRTARS1
SCHEMBL13992522 0.78 ACHE (0.41) HTTACHEMPOBACE1BCHE
SCHEMBL11609819 0.78 HTT (0.50) HTTACHEMAP4K4DHFRTARS1
SCHEMBL29663118 0.78 HTT (0.74) HTTACHEMAP4K4MPOBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
WO-2025202022-A9 ANTICANCER MACROCYCLIC QUINAZOLINE-BASED INHIBITORS OF THE INERACTION BETWEEN RAS AND SOS1 BAYER AKTIENGESELLSCHAFT (DE) 2025-12-26 WO disclosed
WO-2025202022-A1 ANTICANCER MACROCYCLIC QUINAZOLINE-BASED INHIBITORS OF THE INERACTION BETWEEN RAS AND SOS1 BAYER AKTIENGESELLSCHAFT (DE) 2025-10-02 WO disclosed
CN-118142359-A Anti-pollution and oxidation-resistant reverse osmosis membrane with low-surface-energy coating and preparation method thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed