SCHEMBL6972374

SCHEMBL6972374

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)c3ccccc3)cc2C(O)C1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
GLA P06280 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNH2 Q12809 1/20 0.45
PHGDH O43175 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 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
SCHEMBL10892807 0.86 KCNH2 (0.48) HCAR3ALDH1A1HTTPOLBMAPT
SCHEMBL10892820 0.86 KCNH2 (0.48) HCAR3ALDH1A1HTTPOLBMAPT
SCHEMBL9684999 0.86 KCNH2 (0.48) HCAR3ALDH1A1HTTPOLBMAPT
SCHEMBL6978258 0.84 HCAR3 (0.52) HCAR3NPC1RAB9AALDH1A1MAPK1
SCHEMBL27530717 0.82 HCAR3 (0.47) HCAR3NPC1RAB9AALDH1A1MAPK1
SCHEMBL10435141 0.82 KCNH2 (0.44) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL10888628 0.82 KCNH2 (0.44) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL9743220 0.82 KCNH2 (0.44) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL6975515 0.81 HCAR3 (0.46) HCAR3NPC1RAB9AALDH1A1MAPK1
SCHEMBL6975503 0.81 HCAR3 (0.46) HCAR3NPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
CN-1226243-A Benzodihydropyran derivative NISSAN CHEMICAL IND LTD (JP) 1999-08-18 CN disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed