SCHEMBL4953238

SCHEMBL4953238

NN(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
SRC P12931 1/20 0.43
ATM Q13315 2/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
CYP3A4 P08684 3/20 0.41
AHR P35869 1/20 0.41
FFAR1 O14842 1/20 0.41
CYP2D6 P10635 2/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 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
SCHEMBL10617441 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL28498447 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL7973209 0.73 CYP2A6 (0.50) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL28229484 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL30171037 0.72 ATM (0.54) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL4212837 0.72 ATM (0.54) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL21921279 0.72 ATM (0.48) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL3423737 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL11387418 0.70 KIF11 (0.47) ALDH1A1MEN1KMT2ATDP1NPC1
SCHEMBL7970007 0.70 LMNA (0.57) ALDH1A1MEN1KMT2ATDP1NPC1

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
WO-2008045952-A2 PHOTORECEPTOR PRECURSOR CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 WO disclosed
EP-1226116-A1 PROCESSES FOR THE PREPARATION OF SUMATRIPTAN AND RELATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP disclosed
WO-2001034561-A1 PROCESSES FOR THE PREPARATION OF SUMATRIPTAN AND RELATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-05-17 WO disclosed