SCHEMBL9557288

SCHEMBL9557288

S=c1nn[nH]n1-c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL3574114 0.77 ALKBH5 (0.40) HPGDHSD17B10MEN1KMT2ALMNA
SCHEMBL6987750 0.56 NPSR1 (0.42) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL18865500 0.56 ALKBH5 (0.50) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL8507769 0.56 CYP2A6 (0.44) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL18508 0.56
SCHEMBL17223082 0.54 RXFP1 (0.61) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL12100217 0.54 CYP2A6 (0.42) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL15555209 0.54 CYP1A2 (0.52) ALDH1A1ALOX15MEN1KMT2ACYP1A2
SCHEMBL17304833 0.53 CYP2A6 (0.40) HPGDHSD17B10MEN1KMT2AMAPT
SCHEMBL697060 0.52 CYP2A6 (0.57) ALDH1A1ALOX15TDP1LMNATSHR

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-5240811-A Photogenerated polycarbodiimides from poly(tetrazole-5-thiones) and use in the preparation of coatings and deep-UV photoresists OCG MICROELECTRONIC MATERIALS, INC. (US) 1993-08-31 US disclosed