SCHEMBL28057010

SCHEMBL28057010

COC(=O)C(Cc1ccc(I)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ ATM Q13315 2/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KLK5 Q9Y337 1/20 0.44
▸ PLG P00747 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ YAP1 P46937 1/20 0.42
▸ CACNA1B Q00975 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ DRD2 P14416 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
SCHEMBL16604420 1.00 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL17982930 1.00 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL17982949 0.91 KMT2A (0.69) KMT2AATMMEN1PLGPRSS1
SCHEMBL16609114 0.91 KMT2A (0.69) KMT2AATMMEN1PLGPRSS1
SCHEMBL16604442 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL6039069 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL17961959 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL6039062 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL16604444 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG
SCHEMBL18093204 0.90 KMT2A (0.58) KMT2AATMMEN1KLK5PLG

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
CN-105745192-A Substituted phenylalanine derivatives 拜耳制药股份公司 2016-07-06 — — CN disclosed
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