SCHEMBL7465337

SCHEMBL7465337

CCOc1ccc2c(c1)C(N)(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
TP53 P04637 6/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
THRB P10828 1/20 0.37
SCN9A Q15858 1/20 0.37
POLB P06746 1/20 0.37

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
Water SCHEMBL8593336 0.99 MAPT (0.39) MAPTTP53LMNAHDAC1HDAC6
Water SCHEMBL8593338 0.99 MAPT (0.39) MAPTTP53LMNAHDAC1HDAC6
SCHEMBL7469987 0.90 MAPT (0.36) MAPTTP53HDAC1HDAC6SMN1; SMN2
SCHEMBL7469133 0.88 HDAC1 (0.49) MAPTTP53HDAC1HDAC6ALDH1A1
SCHEMBL7465855 0.88 SMN1; SMN2 (0.41) MAPTTP53SMN1; SMN2THRBSCN9A
SCHEMBL7476150 0.77 PTGDR2 (0.45) MAPTTP53HDAC1HDAC6SMN1; SMN2
SCHEMBL3835993 0.76 AVPR1A (0.43) MAPTLMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL3233628 0.75 AVPR1A (0.43) MAPTLMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL7466211 0.75 HDAC1 (0.45) MAPTTP53HDAC1HDAC6SMN1; SMN2
SCHEMBL7470885 0.75 HDAC1 (0.46) MAPTTP53HDAC1HDAC6SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed