SCHEMBL27625331

SCHEMBL27625331

CC1(C)CN(c2ccc([N+](=O)[O-])cc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.54
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
ADRB1 P08588 1/20 0.50
AKR1C3 P42330 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CRBN Q96SW2 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
BLM P54132 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL27694801 0.81 POLB (0.65) SIRT6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL27969501 0.79 ALDH1A1 (0.67) MAPTALDH1A1POLBLMNACRBN
SCHEMBL18436557 0.79 ADRB1 (0.43) MAPTALDH1A1POLBADRB1AKR1C3
SCHEMBL85548 0.79 AKR1C3 (0.71) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL15958477 0.78 CRBN (0.52) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL15958475 0.78 CRBN (0.52) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6624674 0.78 MAPT (0.46) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL31276657 0.78 AKR1C3 (0.41) MAPTALDH1A1POLBAKR1C3SMN1; SMN2
SCHEMBL18436319 0.77 LMNA (0.52) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL1399562 0.77 SIRT6 (0.64) SIRT6MAPTALDH1A1POLBADRB1

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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 CN disclosed