SCHEMBL4093407

SCHEMBL4093407

Cc1[nH]c2ccccc2c1C1=NNSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
AHR P35869 2/20 0.40
ATP4A P20648 3/20 0.38
ATP4B P51164 3/20 0.38
DDX3X O00571 1/20 0.38
GAA P10253 4/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL2205225 0.70 IMPDH2 (0.43) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL8314281 0.69 RAB9A (0.47) CYP1A2CYP2C9MEN1KMT2AMAPT
SCHEMBL9561901 0.68 CCR6 (0.56) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL17383846 0.68 IMPDH2 (0.73) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL2204248 0.67 MEN1 (0.46) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL31060312 0.66 IMPDH2 (1.00) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL9572001 0.66 PTPRC (0.50) IMPDH2MEN1KMT2AMAPTLMNA
SCHEMBL16169793 0.65 IMPDH2 (0.69) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL20561846 0.65 IMPDH2 (0.63) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL9562597 0.65 PTPRC (0.59) IMPDH2CCR6HKDC1GAAMGAM

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-1805171-A4 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-05-13 EP disclosed
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO disclosed