SCHEMBL7993173

SCHEMBL7993173

N=C(N)NOC(=O)c1ccccn1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PKM P14618 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MITF O75030 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL5673163 0.98 CES2 (0.50) CES2CES1PKMNPC1RAB9A
SCHEMBL8352170 0.97 CES2 (0.48) CES2CES1PKMNPC1RAB9A
SCHEMBL10336480 0.80 NPC1 (0.55) PKMNPC1RAB9AMITFCDK5
SCHEMBL27649537 0.79 MAPT (0.64) CES2CES1PKMNPC1RAB9A
SCHEMBL9295851 0.78 ALDH1A1 (0.49) CES2CES1PKMNPC1RAB9A
SCHEMBL30679670 0.77 ALDH1A1 (0.55) CES2CES1PKMNPC1RAB9A
SCHEMBL22288256 0.77 CES2 (0.53) CES2CES1PKMNPC1RAB9A
SCHEMBL1698244 0.77 ALDH1A1 (0.55) CES2CES1PKMNPC1RAB9A
SCHEMBL9221780 0.75 CES2 (0.55) CES2CES1PKMNPC1RAB9A
SCHEMBL11568341 0.75 TSHR (0.56) NPC1RAB9ALMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124084-A AZO DYES; GOOD FASTNESS TO COLOR, HUMIDITY AND HEAT FUJI PHOTO FILM CO., LTD. (JP) 2000-09-26 US disclosed
US-5827637-A INCLUDING A METAL COORDINATION COMPOUND HAVING PHOTOGRAPHICALLY USEFUL GROUP(S) BONDED THROUGH BLOCK GROUP TO MULTIDENTATE LIGAND(S) WHEREBY USEFUL GROUP IS CLEAVED UPON CLEAVAGE OF METAL DURING PHOTOGRAPHIC PROCESSING FUJI PHOTO FILM CO., LTD. (JP) 1998-10-27 US disclosed
US-5731140-A COLORFASTNESS; PHOTOSTABILITY; HEAT, CHEMICAL AND OXIDATION RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1998-03-24 US disclosed
US-5716775-A SUPPORT WITH SILVER HALIDE EMULSION(S), BINDER AND DYE DONATING COMPOUND, LOW FOGGING FUJI PHOTO FILM CO., LTD. (JP) 1998-02-10 US disclosed