SCHEMBL2215730

SCHEMBL2215730

CCCCc1nc(C(=O)O)cc2c3ccccc3n(CC)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CNR2 P34972 3/20 0.42
NPY5R Q15761 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
PTGER4 P35408 3/20 0.41
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 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
SCHEMBL2214911 0.93 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2216828 0.92 PGR (0.46) ALDH1A1HPGDHTTCNR2KDM4E
SCHEMBL2218201 0.90 AGTR1 (0.47) KDM4E
SCHEMBL2214060 0.88 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2216624 0.87 HSD17B10 (0.43) ALDH1A1HPGDCNR2KDM4EPSEN1
SCHEMBL2218129 0.84 PGR (0.47) ALDH1A1HPGDCNR2PSEN1PSEN2
SCHEMBL2212262 0.83 PDE4A (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28273845 0.82 CYP19A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28273846 0.82 CYP19A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2214021 0.82 PLA2G2A (0.43) ALDH1A1HPGDMEN1KMT2ACNR2

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
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed