SCHEMBL7919928

SCHEMBL7919928

Cc1cc(-c2cccc3c2C(c2ccc(N)c(C)c2)c2ccccc2-3)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
MET P08581 1/20 0.31
TP53 P04637 2/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 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
SCHEMBL5717482 0.85 TLR8 (0.44) CYP3A4EDNRBEDNRAL3MBTL1
SCHEMBL5679835 0.83 ALDH1A1 (0.42) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5162284 0.81 TSHR (0.42) CYP3A4ALDH1A1TSHREDNRBEDNRA
SCHEMBL1372573 0.78 ALOX15 (0.45) ALDH1A1TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL8984742 0.76 MEN1 (0.47) ALDH1A1NPC1RAB9AMAPTEDNRB
SCHEMBL3789866 0.75 ALDH1A1 (0.64) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31147824 0.75 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28326908 0.75 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1034459 0.74 HSD17B10 (0.38) CYP3A4TDP1ALDH1A1TP53HSD17B10
SCHEMBL27967593 0.74 KMT2A (0.45) ALDH1A1SMN1; SMN2NPC1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141073-A1 ELECTRONIC CIRCUIT DEVICE COMPRISING AN EPOXY-MODIFIED AROMATIC VINYL-CONJUGATED DIENE BLOCK COPOLYMER 3M Innovative Properties Company (US) 2001-10-10 EP disclosed
WO-2000039189-A1 ELECTRONIC CIRCUIT DEVICE COMPRISING AN EPOXY-MODIFIED AROMATIC VINYL-CONJUGATED DIENE BLOCK COPOLYMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-07-06 WO disclosed
EP-0858488-A1 REACTIVE HOT MELT COMPOSITION, COMPOSITION FOR PREPARATION OF REACTIVE HOT MELT COMPOSITION, AND FILM-FORM HOT MELT ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-08-19 EP disclosed
WO-1997016500-A1 REACTIVE HOT MELT COMPOSITION, COMPOSITION FOR PREPARATION OF REACTIVE HOT MELT COMPOSITION, AND FILM-FORM HOT MELT ADHESIVE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-09 WO disclosed