SCHEMBL28306396

SCHEMBL28306396

COc1cccc(C[S+]([O-])c2nc(C3=CN(Cc4ccc(OC)c(OC)c4)CC=C3)cc(C(F)F)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL28307440 0.89 MAPT (0.33) ALDH1A1CSF1RKMT2AMEN1MAPT
SCHEMBL28306340 0.85 TP53 (0.37) ALDH1A1KMT2AMAPTTP53PDE2A
SCHEMBL28307468 0.81 PDE2A (0.32) CSF1RKMT2AMAPTTP53PDE2A
SCHEMBL29975728 0.78 SDHB (0.48) MAPTTP53LMNAPDE4APDE4B
SCHEMBL20985656 0.78 SDHB (0.48) MAPTTP53LMNAPDE4APDE4B
SCHEMBL28307456 0.76 SDHB (0.43) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL28307428 0.74 DRD4 (0.30) —
SCHEMBL28307435 0.74 SDHB (0.33) ALDH1A1KMT2AMAPTTP53POLB
SCHEMBL28307461 0.72 SDHB (0.39) ALDH1A1CSF1RKMT2AMEN1MAPT
SCHEMBL28307450 0.71 SDHB (0.39) KMT2AMEN1TP53PDE2APDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 — — CN disclosed
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