SCHEMBL8368647

SCHEMBL8368647

CCCCCN1CCCN2CCCN=C12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
ALOX5 P09917 2/20 0.31

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
SCHEMBL253401 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL31066868 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL9131907 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL250783 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL17217520 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL31066883 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL31066870 0.98 ALDH1A1 (0.47) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL252415 0.95 CYP2D6 (0.44) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL22106057 0.91 USP2 (0.35) ALDH1A1CYP2D6CYP1A2TSHRHTT
SCHEMBL22106055 0.90 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP1A2TSHRHTT

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-0626410-B1 Method for making polycarbonates GEN ELECTRIC (US) 1999-01-07 EP disclosed
EP-0626410-A2 Method for making polycarbonates GENERAL ELECTRIC COMPANY (US) 1994-11-30 EP disclosed
US-5319066-A Method for making polycarbonates GENERAL ELECTRIC COMPANY (US) 1994-06-07 US disclosed