SCHEMBL21667494

SCHEMBL21667494

CCOc1cc(Br)ccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LPAR1 Q92633 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14456037 0.85 ALDH1A1 (0.36) HPGDTSHRSMN1; SMN2KMT2ANPSR1
SCHEMBL7946977 0.83 HPGD (0.49) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL12806459 0.80 LPAR1 (0.49) TSHRLMNAGAALPAR1KDM4E
SCHEMBL30626962 0.80 LPAR1 (0.49) TSHRLMNAGAALPAR1KDM4E
SCHEMBL31096231 0.79 TSHR (0.56) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL182753 0.79 TSHR (0.56) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL20563947 0.79 TSHR (0.42) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL9946005 0.78 KDM4E (0.50) HPGDTSHRKMT2AHTTRECQL
SCHEMBL8246277 0.78 ALDH1A1 (0.55) HPGDTSHRLMNASMN1; SMN2KMT2A
SCHEMBL10435972 0.78 GABRA1 (0.42) HPGDTSHRLMNASMN1; SMN2KMT2A

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
WO-2020028757-A1 LATE SV40 FACTOR (LSF) INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 2020-02-06 WO disclosed