SCHEMBL11240601

SCHEMBL11240601

O=C(NC(=O)c1ccncc1Cl)Nc1cc(Cl)c(Sc2ccccc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 9/20 0.42
▸ CYP11B2 P19099 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ JAK1 P23458 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL11140802 0.79 GCGR (0.58) PYGLGCGRCYP1A2POLBNPC1
SCHEMBL11143585 0.74 NPC1 (0.52) PYGLGCGRNPC1RAB9AMEN1
SCHEMBL11251201 0.72 TDP1 (0.47) PYGLGCGRJAK2TYK2CYP1A2
SCHEMBL28072777 0.72 JAK2 (0.67) CYP11B2JAK2TYK2CYP3A4HTT
SCHEMBL8658810 0.69 PYGL (0.45) PYGLGCGRCYP1A2POLBNPC1
SCHEMBL8840342 0.69 NPC1 (0.60) PYGLGCGRJAK2TYK2CYP1A2
SCHEMBL11234133 0.68 NPC1 (0.51) PYGLGCGRCYP1A2POLBNPC1
SCHEMBL8840248 0.68 RAB9A (0.59) PYGLGCGRCYP1A2POLBNPC1
SCHEMBL10617761 0.68 NPC1 (0.59) PYGLGCGRCYP1A2POLBNPC1
SCHEMBL8840275 0.67 POLB (0.57) PYGLGCGRJAK2TYK2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 — — US disclosed
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