SCHEMBL9003632

SCHEMBL9003632

CC[B-](CC)(CC)Cc1ccccc1.c1ccc(Sc2ccc(C[S+](c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
Lithium Ion SCHEMBL9003334 0.72 TP53 (0.48) SLC6A4TP53ALDH1A1HPGDMAOA
SCHEMBL1127586 0.72 TSHR (0.46) TP53ALDH1A1HPGDMAOB
Hydrochloric Acid SCHEMBL1042662 0.70 TSHR (0.43) TP53ALDH1A1HPGDMAOB
SCHEMBL5693416 0.69 TSHR (0.39) TP53ALDH1A1HPGDMAOB
Perchlorate SCHEMBL9003254 0.68 MEN1 (0.43) LMNAALDH1A1HPGD
SCHEMBL415478 0.66 TP53 (0.59) SLC6A4HTR2CHTR6LMNATP53
SCHEMBL9003560 0.66 NPC1 (0.33) LMNATP53HPGD
SCHEMBL10707308 0.64 CALM1 (0.60) SLC6A4HTR2CHTR6LMNARXFP1
SCHEMBL19938060 0.63 SLC6A4 (0.53) SLC6A4HTR2CHTR6ALDH1A1HPGD
SCHEMBL2325029 0.63 ALDH1A1 (0.42) ALDH1A1

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed