SCHEMBL2070000

SCHEMBL2070000

O=C(Nc1ccc(NCc2ccc(Cl)s2)cc1Cl)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.53
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
FFAR1 O14842 1/20 0.44
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL30796460 1.00 GRM4 (0.53) GRM4ALDH1A1HPGDTSHRFFAR1
SCHEMBL2072536 0.99 GRM4 (0.51) GRM4ALDH1A1HPGDTSHRFFAR1
SCHEMBL30795472 0.99 GRM4 (0.51) GRM4ALDH1A1HPGDTSHRFFAR1
SCHEMBL2069782 0.97 GRM4 (0.48) GRM4ALDH1A1HPGDTSHRFFAR1
SCHEMBL30795247 0.97 GRM4 (0.48) GRM4ALDH1A1HPGDTSHRFFAR1
SCHEMBL30795548 0.96 FFAR1 (0.47) GRM4ALDH1A1HPGDFFAR1KMT2A
SCHEMBL2071661 0.96 FFAR1 (0.47) GRM4ALDH1A1HPGDFFAR1KMT2A
SCHEMBL2072782 0.83 ALDH1A1 (0.45) ALDH1A1HPGDFFAR1KMT2ASMN1; SMN2
SCHEMBL30794649 0.83 ALDH1A1 (0.45) ALDH1A1HPGDFFAR1KMT2ASMN1; SMN2
SCHEMBL27749622 0.81 FFAR1 (0.54) ALDH1A1FFAR1KMT2AMEN1LMNA

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-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed