SCHEMBL7749901

SCHEMBL7749901

C=C(CCCC)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KDM4E B2RXH2 5/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALOX12 P18054 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
NPC1 O15118 1/20 0.54
HSP90AA1 P07900 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 3/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41

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
SCHEMBL9466488 0.95 LMNA (0.60) LMNAKDM4EHTTSMN1; SMN2ALOX12
Hydrochloric Acid SCHEMBL17845878 0.87 KDM4E (0.47) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL9155331 0.84 CES2 (0.44) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL472967 0.81 ALDH1A1 (0.50) LMNAKDM4EHTTSMN1; SMN2ALOX12
Bromide SCHEMBL27970014 0.79 ALDH1A1 (0.48) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL16353921 0.79 LMNA (0.54) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL1255008 0.79 CTNNB1 (0.59) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL28831193 0.78 SMN1; SMN2 (0.47) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL27800461 0.78 CES2 (0.45) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL8606134 0.77 LMNA (0.53) LMNAKDM4EHTTSMN1; SMN2ALOX12

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-2859023-B1 NEUTRAL LAYER POLYMER COMPOSITION FOR DIRECTED SELF ASSEMBLY AND PROCESSES THEREOF AZ ELECTRONIC MAT (LUXEMBOURG) S À R L (LU) 2017-07-19 EP claimed
EP-0834777-B1 Cationic toner processes XEROX CORP (US) 2001-01-03 EP claimed
WO-2019051585-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE DALHOUSIE UNIVERSITY (CA) 2019-03-21 WO disclosed