SCHEMBL8568247

SCHEMBL8568247

CNC(=O)Cn1c(C)cc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
TSHR P16473 3/20 0.58
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL11007236 0.85 TP53 (0.63) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL3067363 0.82 L3MBTL1 (0.64) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL1757508 0.81 KDM4E (0.59) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL8568160 0.81 TP53 (0.56) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL11557387 0.81 KMT2A (0.75) KDM4EKMT2AALDH1A1L3MBTL1POLB
SCHEMBL14994342 0.79 MEN1 (0.70) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL1779695 0.77 RAB9A (0.68) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL24480011 0.76 ALDH1A1 (0.74) TP53TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL5786592 0.75 TP53 (0.60) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL29930196 0.75 GRIN2B (0.58) TP53TSHRKDM4EMEN1KMT2A

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed