SCHEMBL28025825

SCHEMBL28025825

C=C(C(=O)OCC)c1cn(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ATM Q13315 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ CREBBP Q92793 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4685270 0.86 NR4A2 (0.57) NR4A2LMNAALDH1A1KMT2AMITF
SCHEMBL28026387 0.85 NR4A2 (0.60) NR4A2LMNAALDH1A1KMT2AMAPT
SCHEMBL6379635 0.82 NR4A2 (0.69) NR4A2LMNAALDH1A1KMT2AMITF
SCHEMBL28026377 0.82 LMNA (0.44) NR4A2LMNAALDH1A1KMT2AATM
SCHEMBL28026372 0.82 LMNA (0.48) NR4A2LMNAALDH1A1KMT2AMAPT
SCHEMBL10629215 0.81 L3MBTL1 (0.63) LMNAALDH1A1KMT2AMAPTNPSR1
SCHEMBL15657022 0.79 POLB (0.64) NR4A2LMNAALDH1A1KMT2AMITF
SCHEMBL28025826 0.78 MAPT (0.53) LMNAALDH1A1KMT2AMAPTHPGD
SCHEMBL7163548 0.78 KDM1A (0.48) LMNAALDH1A1KMT2AMAPTPOLB
SCHEMBL10781557 0.77 ABCG2 (0.57) NR4A2LMNAALDH1A1KMT2AMITF

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
Send feedback