SCHEMBL7667117

SCHEMBL7667117

CNC(=O)N(C)SCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
MMP13 P45452 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
PLOD2 O00469 1/20 0.35

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
SCHEMBL7665858 0.76 SMN1; SMN2 (0.43) TSHRHDAC1HDAC6POLBSMN1; SMN2
SCHEMBL11180654 0.75 MMP13 (0.51) TSHRMMP13HDAC1HDAC6POLB
SCHEMBL7660358 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19HSD17B10TSHR
SCHEMBL7670524 0.72 CHRNA7 (0.49) CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL7662025 0.71 KDM4E (0.49) ALDH1A1HSD17B10TSHRHDAC1POLB
SCHEMBL7668271 0.71 KMT2A (0.43) ALDH1A1TSHRHPGDSMN1; SMN2MEN1
SCHEMBL7669235 0.71 MAPK1 (0.35) ALDH1A1SMN1; SMN2RAB9ALMNAGAA
SCHEMBL11528821 0.69 KMT2A (0.42) ALDH1A1HDAC6KMT2ARAB9A
SCHEMBL7667027 0.68 KMT2A (0.49) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL8406145 0.67 PTGES (0.47) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A

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 10 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
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