SCHEMBL9715330

SCHEMBL9715330

Cc1cccc(N2CN(c3cccc(C)c3)CN(c3cccc(C)c3)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.62
KCNH2 Q12809 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ACHE P22303 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MGLL Q99685 1/20 0.50
RAB9A P51151 1/20 0.50
NOTUM Q6P988 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 3/20 0.46
DHFR P00374 1/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL11103700 0.86 ADRB1 (0.74) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL10373770 0.86 ADRB1 (0.74) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL28661128 0.86 ADRB1 (0.53) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL8264176 0.82 ADRB1 (0.69) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL12991 0.82 ADRB1 (0.69) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL30461168 0.81 KCNH2 (0.51) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL17281442 0.80 ADRB1 (0.67) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL3307690 0.80 ADRB1 (0.67) ADRB1KCNH2L3MBTL1MAPTALDH1A1
SCHEMBL11096302 0.80 KCNH2 (0.73) ADRB1KCNH2MAPTALDH1A1RAB9A
SCHEMBL15507872 0.80 ADRB1 (0.61) ADRB1KCNH2L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308961-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-08 EP disclosed
US-5021412-A Protecting agricultural crops MITSUI TOATSU CHEMICALS, INC. (JP) 1991-06-04 US disclosed
EP-0308961-A1 Thiadiazines, process for production thereof, and insecticide MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-29 EP disclosed