SCHEMBL11210021

SCHEMBL11210021

CNC=Nc1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.68
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MPI P34949 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SIGMAR1 Q99720 6/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ GRIN2D O15399 3/20 0.38
▸ GRIN3B O60391 3/20 0.38
▸ GRIN1 Q05586 3/20 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
SCHEMBL11531465 1.00 CYP2C9 (0.68) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL13241355 1.00 CYP2C9 (0.68) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL17917465 0.84 CYP2C9 (0.55) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL11860615 0.83 CYP2C9 (0.48) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL10972589 0.81 CYP2C9 (0.66) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL3735404 0.78 CYP2C9 (0.61) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL3735405 0.78 CYP2C9 (0.61) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL29558213 0.78 CYP2C9 (0.61) CYP2C9MAPTLMNAALDH1A1KDM4E
SCHEMBL11857939 0.77 CYP2C9 (0.41) CYP2C9ALDH1A1POLBMPINPC1
SCHEMBL239325 0.77 CYP2C9 (0.59) CYP2C9MAPTLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002826-B1 NOVEL PHOSPHORAMIDOTHIOATE DERIVATIVES, PESTICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THE NOVEL DERIVATIVES AND THE USE OF THE NOVEL DERIVATIVES FOR COMBATING PESTS ROHM AND HAAS COMPANY (US) 1983-06-01 — — EP disclosed
US-4263288-A Acaricidal, insecticidal, and nematocidal phosphoramidothioates ROHM AND HAAS COMPANY (US) 1981-04-21 — — US disclosed
EP-0002826-A1 Novel phosphoramidothioate derivatives, pesticidal compositions containing them, processes for preparing the novel derivatives and the use of the novel derivatives for combating pests ROHM AND HAAS COMPANY (US) 1979-07-11 — — EP disclosed
US-4134913-A MITICIDES THE UPJOHN COMPANY (US) 1979-01-16 — — US disclosed
US-4066765-A Arthropodicidal formamidines THE UPJOHN COMPANY (US) 1978-01-03 — — US disclosed
US-3998969-A Formamidine insecticides THE UPJOHN COMPANY (US) 1976-12-21 — — US disclosed
US-3954997-A MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1976-05-04 — — US disclosed
US-3947591-A Pesticidal N,N\"-thio and dithio bis(substituted phenyl formamidines) THE UPJOHN COMPANY (US) 1976-03-30 — — US disclosed
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