SCHEMBL7002997

SCHEMBL7002997

Cc1cc(C(C)(C)C)ccn1.Cc1ccnc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.53
LMNA P02545 6/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL179285 0.85 UHRF1 (0.52) UHRF1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29508711 0.85 UHRF1 (0.52) UHRF1LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL84569 0.85 UHRF1 (0.52) UHRF1LMNAALDH1A1KDM4ECCR1
SCHEMBL278964 0.81 LMNA (0.41) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29738718 0.81 LMNA (0.41) LMNAALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL13153662 0.74 CCR1 (0.68) UHRF1LMNAALDH1A1KDM4ECCR1
SCHEMBL44068 0.72
SCHEMBL28381757 0.72 UHRF1 (1.00) UHRF1ALDH1A1KDM4ESMN1; SMN2CCR1
SCHEMBL29365333 0.72
SCHEMBL31032211 0.71 UHRF1 (0.50) UHRF1LMNAALDH1A1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767671-B2 STABILITY; HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-27 US disclosed