SCHEMBL16606603

SCHEMBL16606603

Cc1ccc(C[C@H](NC(=O)C2CCC(CNC(=O)OC(C)(C)C)CC2)C(=O)O)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.63
▸ ATM Q13315 2/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ MAPK1 P28482 1/20 0.47
▸ ACACB O00763 3/20 0.44
▸ ACACA Q13085 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PLG P00747 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42

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
SCHEMBL18011638 1.00 KMT2A (0.63) KMT2AATMMEN1MAPK1ACACB
SCHEMBL16606803 0.92 KMT2A (0.53) KMT2AATMMEN1MAPK1ACACB
SCHEMBL18011627 0.92 KMT2A (0.53) KMT2AATMMEN1MAPK1ACACB
SCHEMBL18062586 0.89 KMT2A (0.61) KMT2AATMMEN1MAPK1ACACB
SCHEMBL16604454 0.89 KMT2A (0.61) KMT2AATMMEN1MAPK1ACACB
SCHEMBL17961971 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604349 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604445 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL18093140 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16604417 0.88 KMT2A (0.70) KMT2AATMMEN1MAPK1ACACB

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
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
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