SCHEMBL5157543

SCHEMBL5157543

COc1ccc(-c2[nH]c3ccc(C)cc3c2C=C(C#N)C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43

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
SCHEMBL5157388 0.87 KDM4E (0.48) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL5158018 0.86 MAOA (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5158461 0.85 KMT2A (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5155216 0.84 MAOA (0.48) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL5158044 0.84 TUBB4A (0.59) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL5158006 0.83 MAOA (0.48) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL5289407 0.82 TUBB4A (0.68) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL5154906 0.81 MTNR1A (0.49) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL5157286 0.81 TUBB4A (0.64) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL5157758 0.80 TUBB4A (0.63) KDM4EALDH1A1HPGDMAPTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007010044-A1 3-INDOLYLMETHYLENE DERIVATIVES WITH CYTOSTATIC ACTION UNIVERSITAET REGENSBURG (DE) 2007-01-25 WO disclosed
EP-1746087-A1 Derivates of 3-indolylmethylene having cytostatic properties Universitaet Regensburg (DE) 2007-01-24 EP disclosed