SCHEMBL11430671

SCHEMBL11430671

CCOc1ccc2c(c1)CCc1c(Cl)cccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL11442744 0.85 NOX1 (0.42) L3MBTL1KMT2AMAPTLMNAMAPK1
SCHEMBL11442746 0.84 MEN1 (0.39) ALOX15CYP19A1CYP11B1CYP11B2TP53
SCHEMBL11442019 0.82 SMN1; SMN2 (0.41) TP53L3MBTL1KMT2AKDM4ETSHR
SCHEMBL11430856 0.78 L3MBTL1 (0.42) TP53L3MBTL1KMT2AKDM4EMAPT
SCHEMBL11427374 0.77 TP53 (0.37) ALOX15TP53CYP3A4L3MBTL1KMT2A
SCHEMBL11436425 0.76 RAD52 (0.35) L3MBTL1KMT2ASRD5A1LMNA
SCHEMBL10588135 0.75 ADRA2A (0.41) TP53CYP3A4L3MBTL1KDM4ETSHR
SCHEMBL11430640 0.74 CYBB (0.42) ALOX15TP53CYP3A4KMT2ASLC6A2
SCHEMBL22001571 0.70 NQO1 (0.48) TP53CYP3A4L3MBTL1KMT2ATSHR
SCHEMBL6980453 0.69 KMT2A (0.49) TP53CYP3A4L3MBTL1KMT2ASLC6A2

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
US-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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