SCHEMBL15330952

SCHEMBL15330952

O=Cc1ccc(OCC(=O)Nc2nccs2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.72
▸ RAB9A P51151 11/20 0.72
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ PKM P14618 3/20 0.72
▸ TP53 P04637 3/20 0.72
▸ HPGD P15428 3/20 0.72
▸ CDK5 Q00535 1/20 0.72
▸ CDK5R1 Q15078 1/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ THRB P10828 1/20 0.71
▸ ALDH1A1 P00352 6/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ LMNA P02545 1/20 0.54

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
SCHEMBL2683107 0.84 NPC1 (0.76) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL12443640 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL3409592 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL7470030 0.83 RAB9A (1.00) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL17967984 0.81 L3MBTL1 (0.55) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL5443581 0.80 NPC1 (0.77) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL17967848 0.78 GAA (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11208093 0.77 NPC1 (0.62) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL11208084 0.77 TBXAS1 (0.62) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL6593539 0.76 RAB9A (0.68) NPC1RAB9ASMN1; SMN2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 — — CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 — — WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
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