SCHEMBL8877679

SCHEMBL8877679

CC(C)CSc1cc(NC(=O)CF)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GSTO1 P78417 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ NPY1R P25929 1/20 0.40

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
SCHEMBL9369763 0.80 TSHR (0.45) TSHRKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL10347962 0.76 TSHR (0.55) TSHRKDM4ECYP3A4MEN1KMT2A
SCHEMBL8879957 0.74 GSTO1 (0.54) TSHRKDM4ECYP3A4KCNQ3KCNQ2
SCHEMBL9633422 0.73 CYP3A4 (0.51) TSHRKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL9427381 0.72 NPC1 (0.64) TSHRKDM4ECYP3A4ALDH1A1MEN1
Isobutane SCHEMBL9369767 0.70 GSTO1 (0.44) TSHRKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL10617845 0.69 MEN1 (0.43) TSHRKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL9391202 0.69 GSTO1 (0.55) CYP3A4ALDH1A1MEN1KMT2AGSTO1
SCHEMBL9427582 0.69 ALDH1A1 (0.51) TSHRKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL8876963 0.68 KMT2A (0.63) CYP3A4ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 — — US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 — — US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 — — EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 — — US disclosed
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 — — EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 — — US disclosed
CN-1049846-A Glutarimide with weeding activity ROHM & HAAS (US) 1991-03-13 — — CN disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 — — EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 — — EP disclosed
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