SCHEMBL28470232

SCHEMBL28470232

Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)NC2CCOCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM1A O60341 5/20 0.38
▸ MAOA P21397 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL455009 0.78 HPGD (0.46) TSHRSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL28481025 0.77 MEN1 (0.51) TSHRSMN1; SMN2KDM1AMAOAKMT2A
SCHEMBL5197638 0.77 CA1 (0.47) SMN1; SMN2KDM1AKMT2AMEN1CYP1A2
SCHEMBL28470650 0.76 CA1 (0.38) SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL20288295 0.75 KDM1A (0.48) TSHRKDM1AMAOA
SCHEMBL20288336 0.75 KDM1A (0.53) SMN1; SMN2KDM1AKMT2AMEN1CYP2C19
SCHEMBL15942452 0.75 HPGD (0.49) TSHRSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL16540222 0.74 LIPG (0.38) KMT2AMEN1
SCHEMBL34472141 0.74 HSD17B10 (0.40) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL28472962 0.74 CDK1 (0.38) TSHRSMN1; SMN2NPC1RAB9AHPGD

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
CN-117069728-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2023-11-17 — — CN disclosed
CN-111868063-A PI4KIII beta inhibitors 葛兰素史克知识产权开发有限公司 2020-10-30 — — CN disclosed
Send feedback