SCHEMBL29948466

SCHEMBL29948466

CCCCCCCCCCCCCCCCCCCCc1cc(=O)[nH]c(=S)[nH]1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.97
MPO P05164 1/20 0.74
TPO P07202 1/20 0.74
TSHR P16473 1/20 0.74
LPO P22079 1/20 0.74
CYP2C19 P33261 1/20 0.74
TAS2R38 P59533 1/20 0.74
GPR84 Q9NQS5 16/20 0.70
MAPT P10636 1/20 0.53
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48

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
SCHEMBL15752987 1.00 KMT2A (0.97) KMT2AMPOTPOTSHRLPO
SCHEMBL6996841 1.00 KMT2A (0.97) KMT2AMPOTPOTSHRLPO
SCHEMBL11736351 1.00 KMT2A (0.97) KMT2AMPOTPOTSHRLPO
SCHEMBL11739128 1.00 KMT2A (0.97) KMT2AMPOTPOTSHRLPO
SCHEMBL10489579 0.98 KMT2A (1.00) KMT2AMPOTPOTSHRLPO
SCHEMBL8407853 0.93 KMT2A (0.90) KMT2AMPOTPOTSHRLPO
SCHEMBL11582733 0.89 KMT2A (0.82) KMT2AMPOTPOTSHRLPO
Propylthiouracil SCHEMBL41239 0.85 LPO (1.00) KMT2AMPOTPOTSHRLPO
Propylthiouracil SCHEMBL5493716 0.85 LPO (1.00) KMT2AMPOTPOTSHRLPO
Propylthiouracil SCHEMBL27995248 0.84 LPO (0.96) KMT2AMPOTPOTSHRLPO

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
EP-4058847-A1 DNQ-TYPE PHOTORESIST COMPOSITION INCLUDING ALKALI-SOLUBLE ACRYLIC RESINS Merck Patent GmbH (DE) 2022-09-21 EP disclosed