SCHEMBL7657928

SCHEMBL7657928

CNC(=S)N(C)Cc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
KMT2A Q03164 2/20 0.34
GBA1 P04062 1/20 0.34
MEN1 O00255 1/20 0.34
HRH1 P35367 3/20 0.33
HDAC1 Q13547 2/20 0.33
CYP2D6 P10635 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 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
SCHEMBL27322956 0.80 BAZ2B (0.43) CYP3A4CYP1A2CYP2C9CYP2C19HSP90AA1
SCHEMBL7660360 0.77 MEN1 (0.49) SMN1; SMN2HSP90AA1TDP1POLBRAB9A
SCHEMBL19210477 0.75 TDP1 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL7657551 0.73 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1
SCHEMBL3461681 0.73 CHRNB2 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19HSP90AA1
SCHEMBL20882979 0.73 GAA (0.45) CYP3A4CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL10305066 0.72 TDP1 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8404143 0.72 TDP1 (0.35) CYP3A4CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL7667120 0.71 POLB (0.51) SMN1; SMN2POLBKMT2AMEN1
SCHEMBL7669240 0.71 NR1H2 (0.36) SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed