SCHEMBL11114634

SCHEMBL11114634

O=C(O)Nc1ccnc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL15881317 0.77 GRM5 (0.48) SORT1L3MBTL1RXFP1LMNAPOLB
SCHEMBL10854771 0.74 AURKA (0.47) SORT1L3MBTL1ATMPOLBALDH1A1
SCHEMBL11341693 0.73 HRH4 (0.53)
SCHEMBL18989942 0.70 SORD (0.42) SORT1L3MBTL1RXFP1POLBAURKA
SCHEMBL27690700 0.70 MALT1 (0.36) MALT1
SCHEMBL24714802 0.69 CYP1A2 (0.49) L3MBTL1ATMLMNAPOLBCYP1A2
SCHEMBL30861989 0.69 CTSK (0.49) SORT1L3MBTL1RXFP1LMNAPOLB
SCHEMBL11303883 0.69
SCHEMBL3296292 0.69 CYP3A4 (0.41) CYP3A4
SCHEMBL30407284 0.69 CYP3A4 (0.41) CYP3A4

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
EP-0100795-A1 Selected 2-trichloromethyl-4-pyrimidinyl carbamates and their use as fungicides OLIN CORPORATION (US) 1984-02-22 EP disclosed