SCHEMBL6207299

SCHEMBL6207299

Clc1ccc([CH]Cc2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 1/20 0.41
GPR183 P32249 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
ALDH1A1 P00352 1/20 0.39
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
CNR1 P21554 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
IDO1 P14902 1/20 0.37
CCR5 P51681 2/20 0.36
DRD4 P21917 1/20 0.35

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
SCHEMBL9588199 0.89 HSD17B10 (0.50) HSD17B10LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL16178490 0.80 MAPT (0.49) MEN1KMT2AHSD17B10HTTSMN1; SMN2
SCHEMBL2564898 0.80 NPC1 (0.46) MEN1KMT2AHSD17B10SMN1; SMN2GAA
SCHEMBL8199494 0.79 MAOB (0.46) MEN1KMT2AGPR183LMNAGAA
SCHEMBL8840747 0.79 SIGMAR1 (0.44) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL8196750 0.79 G6PC1 (0.49) MEN1KMT2AHSD17B10DRD4
SCHEMBL8207604 0.79 ALDH1A1 (0.42) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL3410482 0.76 MAOA (0.56) MEN1KMT2AHSD17B10LMNAHTT
SCHEMBL6680147 0.76 ALDH1A1 (0.52) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5253949 0.76 ALDH1A1 (0.52) MEN1KMT2ALMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551844-A2 ANTITUMORAL ANALOGS OF LAMELLARINS Pharma Mar, S.A.U. (ES) 2005-07-13 EP disclosed
WO-2004014917-A2 ANTITUMORAL ANALOGS OF LAMELLARINS PHARMA MAR, S.A.U. (ES) 2004-02-19 WO disclosed
EP-1287004-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCIDIN COMPOUND PHARMA MAR, S.A. (ES) 2003-03-05 EP disclosed
WO-2001087895-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCHIDIN COMPOUND PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
US-4544662-A ALDOSE REDUCTASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES (GB) 1985-10-01 US disclosed
EP-0094184-A1 Indoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-16 EP disclosed