SCHEMBL16812596

SCHEMBL16812596

COC(=O)[C@H](O)Cc1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 7/20 0.38
IDO1 P14902 2/20 0.38
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
MIF P14174 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2153002 0.82 OPRK1 (0.44) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2152997 0.82 OPRK1 (0.44) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28019768 0.81 KMT2A (0.46) KMT2AOPRK1ALDH1A1
SCHEMBL22112689 0.81 NLRP3 (0.46) KMT2ACYP2D6IDO1MIF
SCHEMBL6224100 0.81 NLRP3 (0.46) KMT2ACYP2D6IDO1MIF
Hydrochloric Acid SCHEMBL7261643 0.81 OPRK1 (0.44) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3537302 0.80 ALDH1A1 (0.51) KMT2ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28019826 0.80 HPGD (0.50) KMT2ANPC1ALDH1A1
SCHEMBL28019827 0.76 PPARG (0.47) IDO1ALDH1A1
SCHEMBL979240 0.75 KMT2A (0.55) KMT2ACYP1A2CYP2C9CYP2C19NPC1

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-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed
WO-2015088271-A1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 WO disclosed