SCHEMBL818252

SCHEMBL818252

C=C(CC1CCCNC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
EED O75530 3/20 0.42
KHK P50053 1/20 0.40
SLC6A1 P30531 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL817621 0.90 SLC6A1 (0.49) KMT2ASLC6A2SLC6A4SLC6A1GABRA5
SCHEMBL817513 0.85 KMT2A (0.70) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3444511 0.81 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13122649 0.81 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3444508 0.81 KMT2A (0.74) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL818433 0.80 GBA1 (0.50) KMT2ASLC6A4
SCHEMBL817344 0.75 KMT2A (0.57) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27742622 0.73 KMT2A (1.00) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4953532 0.72 CXCR4 (0.50) KMT2ACHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8719751 0.72 KMT2A (0.60) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed
US-20110245398-A1 METHOD FOR PRODUCING CONJUGATED DIENE POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-06 US disclosed