SCHEMBL6571738

SCHEMBL6571738

C=CCC(=O)Oc1ccccc1-n1nc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.41
MAPK1 P28482 3/20 0.36
IGF2BP2 Q9Y6M1 1/20 0.35
PRKCA P17252 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33
CYP1A2 P05177 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
SCHEMBL27691546 0.81 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2228926 0.76 NPC1 (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14348812 0.71 KMT2A (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1902239 0.71 PTGDR2 (0.40) NPC1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL14010487 0.71 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL11028571 0.71 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL20923486 0.70 ALDH1A1 (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1034563 0.70 ALDH1A1 (0.53) RAB9AALDH1A1HPGDTDP1L3MBTL1
SCHEMBL3502139 0.70 KDM4E (0.57) MAPTALDH1A1HPGDTDP1KDM4E
SCHEMBL9280926 0.70 ALDH1A1 (0.47) ALDH1A1TDP1KDM4ETHRBLMNA

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-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed