SCHEMBL7738334

SCHEMBL7738334

N[C](c1ccccc1)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
BLM P54132 2/20 0.37
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
F2 P00734 2/20 0.37
POLB P06746 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 2/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL11256292 0.79 F2 (0.33) PKMF2TSHRRAB9ANPC1
SCHEMBL14736214 0.78 TSHR (0.41) PKMBLMRECQLL3MBTL1F2
Benzamide SCHEMBL27945852 0.78 L3MBTL1 (0.55) PKMBLMRECQLL3MBTL1POLB
SCHEMBL9350740 0.76 F2 (0.37) PKMBLMRECQLF2TSHR
SCHEMBL135361 0.76 KMT2A (0.50) PKML3MBTL1F2TSHRMAPT
SCHEMBL30081232 0.76 MEN1 (0.37) F2TSHRRAB9AKMT2AGAA
SCHEMBL28785921 0.76 MAPT (0.33) L3MBTL1F2TSHRCYP3A4MAPT
SCHEMBL1177045 0.76 CES2 (0.34) L3MBTL1F2TSHRCYP3A4RAB9A
Biphenyl SCHEMBL3997420 0.73 ALDH1A1 (0.45) BLMRECQLL3MBTL1POLBCYP2C19
SCHEMBL6603475 0.72 F2 (0.32) PKMF2TSHRTDP1RAB9A

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
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed