SCHEMBL11221064

SCHEMBL11221064

Cc1ccc2[nH]c(OC(=O)O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.38
FLT3 P36888 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 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
SCHEMBL11225981 0.81 HSD17B10 (0.49) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL9171113 0.77 KMT2A (0.51) KMT2AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL11566502 0.76 TUBB4A (0.48) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL20436746 0.76 KDM4C (0.43) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL2214853 0.76 PIN1 (0.76) PIN1MEN1KMT2AMAPTCYP1A2
SCHEMBL28379872 0.73 PIN1 (0.58) PIN1MEN1KMT2AMAPTCYP1A2
SCHEMBL9719979 0.73 NPC1 (0.54) PIN1MEN1KMT2AMAPTCYP1A2
SCHEMBL28544499 0.73 RAB9A (0.47) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL11570392 0.73 HSD17B10 (0.34) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL26241758 0.72 PIN1 (0.57) PIN1MEN1KMT2AMAPTCYP1A2

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-0000574-B1 BENZIMIDAZOLE-2 DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS CIBA-GEIGY AG (CH) 1982-08-04 EP claimed
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 EP claimed