SCHEMBL6930803

SCHEMBL6930803

O=C(c1ccccc1)N(CC1CCCO1)c1ccc(F)c([Ti])c1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OXTR P30559 14/20 0.47
AVPR1A P37288 10/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
AVPR2 P30518 1/20 0.40
AVPR1B P47901 1/20 0.40

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
SCHEMBL27498014 0.82 HDAC1 (0.42)
SCHEMBL482930 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2AOXTRAVPR1A
SCHEMBL27482478 0.74 TSHR (0.47) MEN1KMT2ATSHR
SCHEMBL28608345 0.73 MEN1 (0.35) ALDH1A1MEN1KMT2AOXTRAVPR1A
SCHEMBL27497664 0.72 LPAR1 (0.37) TSHR
SCHEMBL4621748 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27482134 0.71 ADRA2C (0.44) ALDH1A1HPGDMAPT
SCHEMBL27497662 0.71 KMT2A (0.42) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL27483226 0.71 ADRA2C (0.46) MEN1KMT2A
SCHEMBL27482477 0.71 NPC1 (0.43) ALDH1A1HPGDMAPT

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
US-20030207204-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. 2003-11-06 US disclosed