SCHEMBL9083199

SCHEMBL9083199

CC[CH]C[CH]c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP1A1 P04798 1/20 0.34

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
SCHEMBL288700 0.85
SCHEMBL8371948 0.76 ALDH1A1 (0.42) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL1447729 0.74 MAPT (0.38) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
4-Formylpyridine SCHEMBL28111845 0.73 ALDH1A1 (0.43) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL7020837 0.73 MAPT (0.50) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9075652 0.71 SNCA (0.40) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL8200303 0.71 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL151827 0.70 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL151826 0.70 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL27577717 0.70 CYP3A4 (0.46) MAPTCYP1A2HPGDCYP3A4CYP2D6

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-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed