SCHEMBL16181410

SCHEMBL16181410

Cc1ccc(-c2ncnn2CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ MTOR P42345 1/20 0.41
▸ NPC1 O15118 4/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LMNA P02545 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
SCHEMBL10308881 0.84 MTOR (0.42) MTORNPC1ALDH1A1TSHRRAB9A
SCHEMBL2935553 0.74 — —
SCHEMBL18648152 0.74 EGLN2 (0.44) HTTNPC1EGLN2ALDH1A1HPGD
SCHEMBL18730526 0.72 MAPT (0.40) HTTNPC1HPGDHSD17B10KDM4E
Indole SCHEMBL6692522 0.70 TRPA1 (0.42) HTTMTORNPC1ALDH1A1HPGD
SCHEMBL10195600 0.69 NAMPT (0.49) KITPIK3CA
SCHEMBL15489049 0.68 MTOR (0.39) HTTMTORNPC1ALDH1A1HDAC1
SCHEMBL7118968 0.67 ATM (0.36) ALDH1A1SMN1; SMN2CYP1A2KIT
SCHEMBL24185300 0.67 NR1H2 (0.49) NPC1ALDH1A1HPGDKDM4EHDAC1
SCHEMBL6996440 0.66 CYP1A2 (0.33) SMN1; SMN2CYP1A2KIT

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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 — — US disclosed
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