SCHEMBL14427571

SCHEMBL14427571

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 1.00
▸ NPSR1 Q6W5P4 3/20 0.88
▸ SMN1; SMN2 Q16637 2/20 0.86
▸ MAPT P10636 2/20 0.86
▸ KMT2A Q03164 3/20 0.82
▸ MEN1 O00255 2/20 0.82
▸ LMNA P02545 3/20 0.76
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ RAB9A P51151 1/20 0.69
▸ GPBAR1 Q8TDU6 1/20 0.67
▸ GAA P10253 3/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL3451560 0.72 TSHR (0.75) TSHRNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL316185 0.72 ALDH1A1 (0.76) TSHRNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL6211216 0.72 KMT2A (0.67) TSHRNPSR1MAPTKMT2AMEN1
SCHEMBL3636891 0.72 GHSR (0.75) TSHRNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL10333070 0.71 TSHR (1.00) TSHRMAPTKMT2AMEN1LMNA
SCHEMBL28163452 0.71 NPC1 (0.68) TSHRNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL8722344 0.71 TSHR (0.73) TSHRNPSR1SMN1; SMN2MAPTKMT2A
SCHEMBL10333068 0.71 TSHR (0.73) TSHRSMN1; SMN2MAPTKMT2ALMNA
SCHEMBL3554810 0.69 GPBAR1 (0.72) TSHRMAPTKMT2ALMNAGPBAR1
SCHEMBL11894104 0.69 POLB (0.77) TSHRMAPTKMT2ALMNAGAA

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-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 — — US disclosed
US-20070203224-A1 SMALL-MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA 2007-08-30 — — US disclosed
WO-2007081966-A2 SMALL MOLECULES FOR TREATING CANCER AND ABNORMAL CELL PROLIFERATION DISORDERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-07-19 — — WO disclosed
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