SCHEMBL2936239

SCHEMBL2936239

O=C1CN(c2ccc(CCNC(=O)NC3CCCCC3)cc2O)S(=O)(=O)N1.O=C1CN(c2ccc(CCNC(=O)Nc3ccccc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
EPHX2 P34913 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.42
AURKB Q96GD4 1/20 0.41
PTPN1 P18031 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3762437 0.93 EPHX1 (0.49) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL3759377 0.91 PTPN1 (0.46) EPHX1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3204480 0.87 EPHX1 (0.50) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
Carbamic Acid SCHEMBL4557656 0.86 SMN1; SMN2 (0.39) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL3225753 0.85 EPHX1 (0.49) EPHX1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL2936042 0.85 PTPN1 (0.42) EPHX1RAB9ASMN1; SMN2NPC1EPHX2
SCHEMBL2936238 0.81 PTPN1 (0.39) SMN1; SMN2TP53ATMPTPN1ALDH1A1
SCHEMBL3205299 0.78 MEN1 (0.48) RAB9AMEN1KMT2APTPN1ALDH1A1
SCHEMBL2936155 0.78 PTPN1 (0.47) SMN1; SMN2NPC1TSHRKMT2APTPN1
SCHEMBL3226383 0.78 PTPN1 (0.47) PTPN1HPGDALDH1A1

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed