SCHEMBL22372500

SCHEMBL22372500

CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.34
ALOX5 P09917 3/20 0.33
PTGS2 P35354 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX1 P51575 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B2 P37059 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
Bumetrizole SCHEMBL3740116 0.93 NPC1 (0.50) NPC1RAB9ALMNACYP1A2CYP2C9
Drometrizole SCHEMBL16212519 0.93 NPC1 (0.56) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL11668139 0.93 NPC1 (0.43) NPC1RAB9ALMNACYP1A2CYP2C9
Octrizole SCHEMBL7912436 0.91 CYP3A4 (0.40) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL7198524 0.91 NPC1 (0.52) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL29241 0.90 NPC1 (0.41) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL29349567 0.90 NPC1 (0.41) NPC1RAB9ALMNACYP1A2CYP2C9
Bumetrizole SCHEMBL8250511 0.88 NPC1 (0.54) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL29814292 0.88 NPC1 (0.46) NPC1RAB9ALMNACYP3A4TSHR
SCHEMBL351147 0.88 NPC1 (0.46) NPC1RAB9ALMNACYP3A4TSHR

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
US-11639423-B2 Resin composition, coating composition, and coated article MITSUBISHI CHEMICAL CORPORATION (JP) 2023-05-02 US disclosed
US-20200277447-A1 RESIN COMPOSITION, COATING COMPOSITION, AND COATED ARTICLE CHIYODA-KU (JP) 2020-09-03 US disclosed