SCHEMBL2234798

SCHEMBL2234798

O=C1[N]c2cc(NCc3ccc(F)cc3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.47
LMNA P02545 1/20 0.46
P4HTM Q9NXG6 1/20 0.43
PPARA Q07869 4/20 0.42
STING1 Q86WV6 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
MAP2K4 P45985 1/20 0.41
NTRK3 Q16288 2/20 0.40
NTRK2 Q16620 1/20 0.40
PTK2 Q05397 1/20 0.39
HDAC1 Q13547 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6264592 0.76 CA1 (0.40) KMT2A
SCHEMBL4750469 0.76 CA1 (0.40) KMT2A
SCHEMBL22032609 0.74 MAPT (0.54) NTRK1LMNAP4HTMPPARASTING1
SCHEMBL6419238 0.70 LMNA (0.61) NTRK1LMNAP4HTMKCNH3NTRK3
SCHEMBL10055033 0.70 LMNA (0.61) NTRK1LMNAP4HTMKCNH3NTRK3
SCHEMBL14957214 0.70 KMT2A (0.65) LMNAMEN1KMT2A
SCHEMBL4652326 0.69 CYP19A1 (0.48)
SCHEMBL5312605 0.68 CA12 (0.34)
SCHEMBL6692354 0.67 PPARA (0.54) PPARASTING1KCNH3MEN1KMT2A
SCHEMBL13122085 0.67 CDC7 (0.56) LMNAHDAC1

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-2536394-A2 STABILIZED PHENYLCARBAMATE DERIVATIVE IN SOLID STATE Medichem S.A. (ES) 2012-12-26 EP disclosed
WO-2011101456-A2 STABILIZED PHENYLCARBAMATE DERIVATIVE IN SOLID STATE MEDICHEM S.A. (ES) 2011-08-25 WO disclosed