SCHEMBL817650

SCHEMBL817650

C/C(=C/CC1CCNC1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GBA1 P04062 1/20 0.40
KDM1A O60341 3/20 0.40
MAOB P27338 1/20 0.40
CHRM3 P20309 2/20 0.38
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL818679 0.91 KMT2A (0.53) KMT2ASLC6A2SLC6A4
SCHEMBL817948 0.91 GBA1 (0.46) KMT2AGBA1KDM1AMAOB
SCHEMBL816885 0.76 KDM1A (0.42) KDM1A
SCHEMBL817722 0.73 KDM1A (0.47) KMT2AKDM1ACHRM3
SCHEMBL24659794 0.72 KMT2A (0.39) KMT2AKDM1ACHRM3SLC6A1GABRA5
SCHEMBL817621 0.70 SLC6A1 (0.49) KMT2AUSP30GBA1KDM1AMAOB
SCHEMBL23668445 0.70 KMT2A (0.60) KMT2AUSP30GBA1MAOBCHRM3
SCHEMBL11705639 0.69 KDM1A (0.42) KDM1A
SCHEMBL27983967 0.69 KDM1A (0.42) KDM1ACHRM3
SCHEMBL817420 0.69 KDM1A (0.50) KMT2AGBA1KDM1ACHRM3GABRB2

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 1 patent. 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