SCHEMBL5839705

SCHEMBL5839705

[NH]C(=O)c1cccnc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EGFR P00533 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GFER P55789 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL950218 0.83 LMNA (0.73) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL353141 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL30792459 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL29412848 0.81 SMN1; SMN2 (1.00) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL17180592 0.81 LMNA (0.70) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL105459 0.81 SMN1; SMN2 (0.70) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL29799007 0.81 SMN1; SMN2 (0.70) LMNASMN1; SMN2POLBNPC1L3MBTL1
Hydrochloric Acid SCHEMBL2683707 0.79 SMN1; SMN2 (0.68) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL5250407 0.79 SMN1; SMN2 (0.96) LMNASMN1; SMN2POLBNPC1L3MBTL1
SCHEMBL38770 0.79 SMN1; SMN2 (0.68) LMNASMN1; SMN2POLBNPC1L3MBTL1

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
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP disclosed