SCHEMBL9683631

SCHEMBL9683631

Nc1cc(Cl)c(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCN9A Q15858 6/20 0.42
KCNH2 Q12809 2/20 0.42
SCN5A Q14524 2/20 0.42
LTA4H P09960 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10895652 0.87 KMT2A (0.56) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL6658670 0.84 THRB (0.57) MAOAMAOBMEN1KMT2ALTA4H
SCHEMBL3228597 0.84 TDP1 (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL5554528 0.83 KMT2A (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL8945699 0.83 MAOA (0.59) MAOAMAOBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29965433 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11386752 0.81 CYP3A4 (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL283161 0.80 MAOA (0.55) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL10632410 0.80 NPBWR1 (0.41) MAOAMAOBCYP1A2MAPTCYP2C9
SCHEMBL11720872 0.80 RAB9A (0.59) MAOAMAOBALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166179-A Insecticides LANGE ARNO (DE) 1992-11-24 US disclosed
EP-0261459-A2 N-benzothiazolyl amides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-30 EP disclosed
EP-0101990-B1 N-BENZOYL-N'-PHENOXYPHENYL UREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed
EP-0101990-A1 N-benzoyl-N'-phenoxyphenyl ureas, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1984-03-07 EP disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed
US-4101575-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed