SCHEMBL9866153

SCHEMBL9866153

Cc1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHEK2 O96017 3/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45

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
SCHEMBL9866893 0.83 MMP2 (0.56) ALDH1A1KMT2ACHEK2MMP2MMP9
SCHEMBL10555120 0.81 NPC1 (0.47) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL13041693 0.81 NPBWR1 (0.64) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL10357617 0.80 RHEB (0.65) NPC1RAB9AALDH1A1MAPTNFKB1
SCHEMBL9378391 0.78 PDE4A (0.53) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL25722414 0.77 HPSE (0.64) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL34960 0.75 NPC1 (0.60) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL12304983 0.75 NPBWR1 (0.69) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL13183701 0.75 NPC1 (0.78) NPBWR1NPC1RAB9AMEN1ALDH1A1
SCHEMBL7574964 0.75 NPC1 (0.58) NPBWR1NPC1RAB9AMEN1ALDH1A1

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-0292348-B1 POLYCYCLIC HETEROCYCLIC DERIVATIVES, PROCES FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1990-09-19 EP claimed
EP-0292348-A1 Polycyclic heterocyclic derivatives, proces for their preparation and their use in human and veterinary medicines CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1988-11-23 EP claimed
US-RE33533-E Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-02-05 US disclosed
EP-0292348-B1 POLYCYCLIC HETEROCYCLIC DERIVATIVES, PROCES FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1990-09-19 EP disclosed
US-4874747-A DERMATOLOGY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1989-10-17 US disclosed
EP-0292348-A1 Polycyclic heterocyclic derivatives, proces for their preparation and their use in human and veterinary medicines CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA Groupement d'Intérêt Economique dit: (FR) 1988-11-23 EP disclosed