SCHEMBL5197801

SCHEMBL5197801

O=C(c1ccccc1)c1ccc(C[CH]c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CDC25B P30305 1/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.44
ABCC4 O15439 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL8674538 0.84 TAAR1 (0.48) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL8712652 0.80 MAOB (0.48) MAPTLMNAKMT2AALDH1A1MAPK1
SCHEMBL10396333 0.79 RAB9A (0.62) MAPTLMNARAB9AMEN1KMT2A
Benzophenone SCHEMBL28231198 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL29143580 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL41657 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
Benzene SCHEMBL28384085 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL13534566 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
SCHEMBL28246134 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A
Benzophenone SCHEMBL15567912 0.78 RAB9A (0.78) MAPTLMNARAB9AMEN1KMT2A

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
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed