SCHEMBL28025826

SCHEMBL28025826

C=C(C(=O)OCC)c1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CDK2 P24941 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ELANE P08246 3/20 0.44
▸ F2 P00734 2/20 0.42
▸ PLAU P00749 2/20 0.42
▸ CTRB1 P17538 2/20 0.42
▸ GLO1 Q04760 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL28026372 0.81 LMNA (0.48) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL28026377 0.81 LMNA (0.44) LMNAALDH1A1HPGDKMT2AELANE
SCHEMBL29118147 0.79 MAPT (0.46) MAPTLMNAALDH1A1KMT2AELANE
SCHEMBL28025825 0.78 NR4A2 (0.55) MAPTLMNAALDH1A1HPGDKMT2A
SCHEMBL5327849 0.78 CDK2 (0.56) MAPTCDK2ALDH1A1KMT2APKM
SCHEMBL6488744 0.78 MAPT (0.49) MAPTLMNACDK2
SCHEMBL29263665 0.77 NR4A2 (0.59) MAPTLMNACDK2ALDH1A1HPGD
SCHEMBL28590573 0.77 ALDH1A1 (0.51) MAPTLMNAALDH1A1KMT2AGLO1
SCHEMBL28969553 0.76 GABRP (0.50) —
SCHEMBL28265756 0.76 MAPT (0.46) MAPTCDK2ELANEF2PLAU

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-104945303-A Preparation method of 3-alkenyl indole compound UNIV ZHEJIANG TECHNOLOGY 2015-09-30 — — CN disclosed
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